4-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]phenyl]-N-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]oxane-4-carboxamide;4-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]phenyl]-N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-phenoxy-2-pyridinyl)oxane-4-carboxamide;N-(5-phenoxy-2-pyridinyl)-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide

C115H109N19O14 — CID 162001560

IUPAC4-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]phenyl]-N-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]oxane-4-carboxamide;4-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]phenyl]-N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-phenoxy-2-pyridinyl)oxane-4-carboxamide;N-(5-phenoxy-2-pyridinyl)-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide
SMILESCOc1ccc(-c2ccc(NC(=O)C3(c4ccc(-c5cnc(N)c(CO)c5)cc4)CCOCC3)nc2)cn1.COc1cncc(-c2ccc(NC(=O)C3(c4ccc(-c5cnc(N)c(CO)c5)cc4)CCOCC3)nc2)c1.Nc1ncc(-c2ccc(C3(C(=O)Nc4ccc(Oc5ccccc5)cn4)CCOCC3)cc2)cn1.O=C(Nc1ccc(Oc2ccccc2)cn1)C1(c2ccc(-c3cnc4[nH]ccc4c3)cc2)CCOCC1
InChIInChI=1S/C30H26N4O3.2C29H29N5O4.C27H25N5O3/c35-29(34-27-11-10-26(20-32-27)37-25-4-2-1-3-5-25)30(13-16-36-17-14-30)24-8-6-21(7-9-24)23-18-22-12-15-31-28(22)33-19-23;1-37-26-9-5-21(16-32-26)20-4-8-25(31-15-20)34-28(36)29(10-12-38-13-11-29)24-6-2-19(3-7-24)22-14-23(18-35)27(30)33-17-22;1-37-25-13-22(14-31-17-25)20-4-7-26(32-15-20)34-28(36)29(8-10-38-11-9-29)24-5-2-19(3-6-24)21-12-23(18-35)27(30)33-16-21;28-26-30-16-20(17-31-26)19-6-8-21(9-7-19)27(12-14-34-15-13-27)25(33)32-24-11-10-23(18-29-24)35-22-4-2-1-3-5-22/h1-12,15,18-20H,13-14,16-17H2,(H,31,33)(H,32,34,35);2-9,14-17,35H,10-13,18H2,1H3,(H2,30,33)(H,31,34,36);2-7,12-17,35H,8-11,18H2,1H3,(H2,30,33)(H,32,34,36);1-11,16-18H,12-15H2,(H2,28,30,31)(H,29,32,33)
InChIKeyYSHANANQQPJLDD-UHFFFAOYSA-N
MW1981.26 g/mol
LogP18.66
Rot. Bonds26

About 4-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]phenyl]-N-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]oxane-4-carboxamide;4-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]phenyl]-N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-phenoxy-2-pyridinyl)oxane-4-carboxamide;N-(5-phenoxy-2-pyridinyl)-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide

4-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]phenyl]-N-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]oxane-4-carboxamide;4-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]phenyl]-N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-phenoxy-2-pyridinyl)oxane-4-carboxamide;N-(5-phenoxy-2-pyridinyl)-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide (PubChem CID 162001560) has the molecular formula C115H109N19O14 and a molecular weight of 1981.26 g/mol. Its IUPAC name is 4-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]phenyl]-N-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]oxane-4-carboxamide;4-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]phenyl]-N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-phenoxy-2-pyridinyl)oxane-4-carboxamide;N-(5-phenoxy-2-pyridinyl)-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]phenyl]-N-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]oxane-4-carboxamide;4-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]phenyl]-N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-phenoxy-2-pyridinyl)oxane-4-carboxamide;N-(5-phenoxy-2-pyridinyl)-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide
PubChem CID162001560
Molecular FormulaC115H109N19O14
Molecular Weight1981.26 g/mol
Exact Mass1979.84
IUPAC Name4-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]phenyl]-N-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]oxane-4-carboxamide;4-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]phenyl]-N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-phenoxy-2-pyridinyl)oxane-4-carboxamide;N-(5-phenoxy-2-pyridinyl)-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide
SMILESCOc1ccc(-c2ccc(NC(=O)C3(c4ccc(-c5cnc(N)c(CO)c5)cc4)CCOCC3)nc2)cn1.COc1cncc(-c2ccc(NC(=O)C3(c4ccc(-c5cnc(N)c(CO)c5)cc4)CCOCC3)nc2)c1.Nc1ncc(-c2ccc(C3(C(=O)Nc4ccc(Oc5ccccc5)cn4)CCOCC3)cc2)cn1.O=C(Nc1ccc(Oc2ccccc2)cn1)C1(c2ccc(-c3cnc4[nH]ccc4c3)cc2)CCOCC1
InChIInChI=1S/C30H26N4O3.2C29H29N5O4.C27H25N5O3/c35-29(34-27-11-10-26(20-32-27)37-25-4-2-1-3-5-25)30(13-16-36-17-14-30)24-8-6-21(7-9-24)23-18-22-12-15-31-28(22)33-19-23;1-37-26-9-5-21(16-32-26)20-4-8-25(31-15-20)34-28(36)29(10-12-38-13-11-29)24-6-2-19(3-7-24)22-14-23(18-35)27(30)33-17-22;1-37-25-13-22(14-31-17-25)20-4-7-26(32-15-20)34-28(36)29(8-10-38-11-9-29)24-5-2-19(3-6-24)21-12-23(18-35)27(30)33-16-21;28-26-30-16-20(17-31-26)19-6-8-21(9-7-19)27(12-14-34-15-13-27)25(33)32-24-11-10-23(18-29-24)35-22-4-2-1-3-5-22/h1-12,15,18-20H,13-14,16-17H2,(H,31,33)(H,32,34,35);2-9,14-17,35H,10-13,18H2,1H3,(H2,30,33)(H,31,34,36);2-7,12-17,35H,8-11,18H2,1H3,(H2,30,33)(H,32,34,36);1-11,16-18H,12-15H2,(H2,28,30,31)(H,29,32,33)
InChIKeyYSHANANQQPJLDD-UHFFFAOYSA-N
XLogP18.66
TPSA466.34 Ų
H-Bond Donors10
H-Bond Acceptors28
Rotatable Bonds26
Heavy Atoms148
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001981.26
LogP ≤ 518.66
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1028

Analyze 4-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]phenyl]-N-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]oxane-4-carboxamide;4-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]phenyl]-N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-phenoxy-2-pyridinyl)oxane-4-carboxamide;N-(5-phenoxy-2-pyridinyl)-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-cyano-3-(trifluoromethyl)phenyl]oxane-4-carboxamide;2-[4-(2-aminopyrimidin-5-yl)phenyl]-2,3-dimethyl-N-pyridin-4-ylbutanamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-(trifluoromethyl)phenyl]oxane-4-carboxamide;N-[5-(5-ethyl-3-pyridinyl)-2-pyridinyl]-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide;N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide
CID 157283667
2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-1-[8-(hydroxymethyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone
CID 158064527
4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-phenoxy-2-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pyridin-3-ylphenyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[3-(trifluoromethylsulfonyl)phenyl]oxane-4-carboxamide;N-(5-phenoxy-2-pyridinyl)-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide
CID 158455734
1-[(8S)-8-ethyl-3-[[2-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-[4-(piperazin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone
CID 158743765
1-[(8R)-8-ethyl-3-[[2-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-[4-(piperazin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone
CID 158743766
1-[(8R)-8-ethyl-3-[[2-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone
CID 158929239
1-[(8S)-8-ethyl-3-[[2-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone
CID 158929240
1-[(8S)-3-[[2-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-8-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone
CID 160135212
1-[(8R)-3-[[2-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-8-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone
CID 160135213
2-[3-(difluoromethyl)-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-[(8R)-8-ethyl-3-[[2-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone
CID 160515995
2-[3-(difluoromethyl)-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-[(8S)-8-ethyl-3-[[2-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone
CID 160515996
2-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-1-[(8S)-3-[[2-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-8-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone
CID 161340761

Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]phenyl]-N-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]oxane-4-carboxamide;4-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]phenyl]-N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-phenoxy-2-pyridinyl)oxane-4-carboxamide;N-(5-phenoxy-2-pyridinyl)-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide?
The IUPAC name of 4-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]phenyl]-N-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]oxane-4-carboxamide;4-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]phenyl]-N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-phenoxy-2-pyridinyl)oxane-4-carboxamide;N-(5-phenoxy-2-pyridinyl)-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide (CID 162001560) is 4-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]phenyl]-N-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]oxane-4-carboxamide;4-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]phenyl]-N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-phenoxy-2-pyridinyl)oxane-4-carboxamide;N-(5-phenoxy-2-pyridinyl)-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide.
What is the SMILES notation for 4-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]phenyl]-N-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]oxane-4-carboxamide;4-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]phenyl]-N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-phenoxy-2-pyridinyl)oxane-4-carboxamide;N-(5-phenoxy-2-pyridinyl)-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide?
The canonical SMILES for 4-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]phenyl]-N-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]oxane-4-carboxamide;4-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]phenyl]-N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-phenoxy-2-pyridinyl)oxane-4-carboxamide;N-(5-phenoxy-2-pyridinyl)-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide is COc1ccc(-c2ccc(NC(=O)C3(c4ccc(-c5cnc(N)c(CO)c5)cc4)CCOCC3)nc2)cn1.COc1cncc(-c2ccc(NC(=O)C3(c4ccc(-c5cnc(N)c(CO)c5)cc4)CCOCC3)nc2)c1.Nc1ncc(-c2ccc(C3(C(=O)Nc4ccc(Oc5ccccc5)cn4)CCOCC3)cc2)cn1.O=C(Nc1ccc(Oc2ccccc2)cn1)C1(c2ccc(-c3cnc4[nH]ccc4c3)cc2)CCOCC1.
What is the InChIKey of 4-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]phenyl]-N-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]oxane-4-carboxamide;4-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]phenyl]-N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-phenoxy-2-pyridinyl)oxane-4-carboxamide;N-(5-phenoxy-2-pyridinyl)-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide?
The InChIKey is YSHANANQQPJLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N4O3.2C29H29N5O4.C27H25N5O3/c35-29(34-27-11-10-26(20-32-27)37-25-4-2-1-3-5-25)30(13-16-36-17-14-30)24-8-6-21(7-9-24)23-18-22-12-15-31-28(22)33-19-23;1-37-26-9-5-21(16-32-26)20-4-8-25(31-15-20)34-28(36)29(10-12-38-13-11-29)24-6-2-19(3-7-24)22-14-23(18-35)27(30)33-17-22;1-37-25-13-22(14-31-17-25)20-4-7-26(32-15-20)34-28(36)29(8-10-38-11-9-29)24-5-2-19(3-6-24)21-12-23(18-35)27(30)33-16-21;28-26-30-16-20(17-31-26)19-6-8-21(9-7-19)27(12-14-34-15-13-27)25(33)32-24-11-10-23(18-29-24)35-22-4-2-1-3-5-22/h1-12,15,18-20H,13-14,16-17H2,(H,31,33)(H,32,34,35);2-9,14-17,35H,10-13,18H2,1H3,(H2,30,33)(H,31,34,36);2-7,12-17,35H,8-11,18H2,1H3,(H2,30,33)(H,32,34,36);1-11,16-18H,12-15H2,(H2,28,30,31)(H,29,32,33).
What are the key properties of 4-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]phenyl]-N-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]oxane-4-carboxamide;4-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]phenyl]-N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-phenoxy-2-pyridinyl)oxane-4-carboxamide;N-(5-phenoxy-2-pyridinyl)-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide?
4-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]phenyl]-N-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]oxane-4-carboxamide;4-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]phenyl]-N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-phenoxy-2-pyridinyl)oxane-4-carboxamide;N-(5-phenoxy-2-pyridinyl)-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide has a molecular weight of 1981.26 g/mol, XLogP of 18.66, 26 rotatable bonds, 10 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]phenyl]-N-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]oxane-4-carboxamide;4-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]phenyl]-N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-phenoxy-2-pyridinyl)oxane-4-carboxamide;N-(5-phenoxy-2-pyridinyl)-4-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]oxane-4-carboxamide is sourced from PubChem (CID 162001560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).