4-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]phenyl]-N-(5-cyano-2-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-chloro-4-cyanophenyl)oxane-4-carboxamide;1-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-[4-(1,3-oxazol-5-yl)phenyl]ethanone;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pyridin-4-ylphenyl)oxane-4-carboxamide;2,3-dimethyl-N-pyridin-3-yl-2-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]butanamide

C124H116ClN23O11 — CID 158800522

IUPAC4-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]phenyl]-N-(5-cyano-2-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-chloro-4-cyanophenyl)oxane-4-carboxamide;1-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-[4-(1,3-oxazol-5-yl)phenyl]ethanone;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pyridin-4-ylphenyl)oxane-4-carboxamide;2,3-dimethyl-N-pyridin-3-yl-2-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]butanamide
SMILESCC(C)C(C)(C(=O)Nc1cccnc1)c1ccc(-c2cnc3[nH]ccc3c2)cc1.N#Cc1ccc(NC(=O)C2(c3ccc(-c4cnc(N)c(CO)c4)cc3)CCOCC2)nc1.N#Cc1ccc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCOCC2)cc1Cl.Nc1ncc(-c2ccc(C3(C(=O)Cc4ccc(-c5cnco5)cc4)CCOCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(C(=O)Nc4ccc(-c5ccncc5)cc4)CCOCC3)cc2)cn1
InChIInChI=1S/C27H25N5O2.C26H24N4O3.C24H23N5O3.C24H24N4O.C23H20ClN5O2/c28-26-30-17-22(18-31-26)20-1-5-23(6-2-20)27(11-15-34-16-12-27)25(33)32-24-7-3-19(4-8-24)21-9-13-29-14-10-21;27-25-29-14-21(15-30-25)19-5-7-22(8-6-19)26(9-11-32-12-10-26)24(31)13-18-1-3-20(4-2-18)23-16-28-17-33-23;25-12-16-1-6-21(27-13-16)29-23(31)24(7-9-32-10-8-24)20-4-2-17(3-5-20)18-11-19(15-30)22(26)28-14-18;1-16(2)24(3,23(29)28-21-5-4-11-25-15-21)20-8-6-17(7-9-20)19-13-18-10-12-26-22(18)27-14-19;24-20-11-19(6-3-16(20)12-25)29-21(30)23(7-9-31-10-8-23)18-4-1-15(2-5-18)17-13-27-22(26)28-14-17/h1-10,13-14,17-18H,11-12,15-16H2,(H,32,33)(H2,28,30,31);1-8,14-17H,9-13H2,(H2,27,29,30);1-6,11,13-14,30H,7-10,15H2,(H2,26,28)(H,27,29,31);4-16H,1-3H3,(H,26,27)(H,28,29);1-6,11,13-14H,7-10H2,(H,29,30)(H2,26,27,28)
InChIKeyITKRPDWNAAOFLX-UHFFFAOYSA-N
MW2139.89 g/mol
LogP20.61
Rot. Bonds25

About 4-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]phenyl]-N-(5-cyano-2-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-chloro-4-cyanophenyl)oxane-4-carboxamide;1-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-[4-(1,3-oxazol-5-yl)phenyl]ethanone;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pyridin-4-ylphenyl)oxane-4-carboxamide;2,3-dimethyl-N-pyridin-3-yl-2-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]butanamide

4-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]phenyl]-N-(5-cyano-2-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-chloro-4-cyanophenyl)oxane-4-carboxamide;1-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-[4-(1,3-oxazol-5-yl)phenyl]ethanone;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pyridin-4-ylphenyl)oxane-4-carboxamide;2,3-dimethyl-N-pyridin-3-yl-2-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]butanamide (PubChem CID 158800522) has the molecular formula C124H116ClN23O11 and a molecular weight of 2139.89 g/mol. Its IUPAC name is 4-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]phenyl]-N-(5-cyano-2-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-chloro-4-cyanophenyl)oxane-4-carboxamide;1-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-[4-(1,3-oxazol-5-yl)phenyl]ethanone;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pyridin-4-ylphenyl)oxane-4-carboxamide;2,3-dimethyl-N-pyridin-3-yl-2-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]butanamide.

Molecular Properties

Compound Name4-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]phenyl]-N-(5-cyano-2-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-chloro-4-cyanophenyl)oxane-4-carboxamide;1-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-[4-(1,3-oxazol-5-yl)phenyl]ethanone;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pyridin-4-ylphenyl)oxane-4-carboxamide;2,3-dimethyl-N-pyridin-3-yl-2-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]butanamide
PubChem CID158800522
Molecular FormulaC124H116ClN23O11
Molecular Weight2139.89 g/mol
Exact Mass2137.89
IUPAC Name4-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]phenyl]-N-(5-cyano-2-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-chloro-4-cyanophenyl)oxane-4-carboxamide;1-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-[4-(1,3-oxazol-5-yl)phenyl]ethanone;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pyridin-4-ylphenyl)oxane-4-carboxamide;2,3-dimethyl-N-pyridin-3-yl-2-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]butanamide
SMILESCC(C)C(C)(C(=O)Nc1cccnc1)c1ccc(-c2cnc3[nH]ccc3c2)cc1.N#Cc1ccc(NC(=O)C2(c3ccc(-c4cnc(N)c(CO)c4)cc3)CCOCC2)nc1.N#Cc1ccc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCOCC2)cc1Cl.Nc1ncc(-c2ccc(C3(C(=O)Cc4ccc(-c5cnco5)cc4)CCOCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(C(=O)Nc4ccc(-c5ccncc5)cc4)CCOCC3)cc2)cn1
InChIInChI=1S/C27H25N5O2.C26H24N4O3.C24H23N5O3.C24H24N4O.C23H20ClN5O2/c28-26-30-17-22(18-31-26)20-1-5-23(6-2-20)27(11-15-34-16-12-27)25(33)32-24-7-3-19(4-8-24)21-9-13-29-14-10-21;27-25-29-14-21(15-30-25)19-5-7-22(8-6-19)26(9-11-32-12-10-26)24(31)13-18-1-3-20(4-2-18)23-16-28-17-33-23;25-12-16-1-6-21(27-13-16)29-23(31)24(7-9-32-10-8-24)20-4-2-17(3-5-20)18-11-19(15-30)22(26)28-14-18;1-16(2)24(3,23(29)28-21-5-4-11-25-15-21)20-8-6-17(7-9-20)19-13-18-10-12-26-22(18)27-14-19;24-20-11-19(6-3-16(20)12-25)29-21(30)23(7-9-31-10-8-23)18-4-1-15(2-5-18)17-13-27-22(26)28-14-17/h1-10,13-14,17-18H,11-12,15-16H2,(H,32,33)(H2,28,30,31);1-8,14-17H,9-13H2,(H2,27,29,30);1-6,11,13-14,30H,7-10,15H2,(H2,26,28)(H,27,29,31);4-16H,1-3H3,(H,26,27)(H,28,29);1-6,11,13-14H,7-10H2,(H,29,30)(H2,26,27,28)
InChIKeyITKRPDWNAAOFLX-UHFFFAOYSA-N
XLogP20.61
TPSA525.89 Ų
H-Bond Donors10
H-Bond Acceptors29
Rotatable Bonds25
Heavy Atoms159
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002139.89
LogP ≤ 520.61
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1029

Analyze 4-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]phenyl]-N-(5-cyano-2-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-chloro-4-cyanophenyl)oxane-4-carboxamide;1-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-[4-(1,3-oxazol-5-yl)phenyl]ethanone;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pyridin-4-ylphenyl)oxane-4-carboxamide;2,3-dimethyl-N-pyridin-3-yl-2-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]butanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]phenyl]-N-(5-cyano-2-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-chloro-4-cyanophenyl)oxane-4-carboxamide;1-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-[4-(1,3-oxazol-5-yl)phenyl]ethanone;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pyridin-4-ylphenyl)oxane-4-carboxamide;2,3-dimethyl-N-pyridin-3-yl-2-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]butanamide?
The IUPAC name of 4-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]phenyl]-N-(5-cyano-2-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-chloro-4-cyanophenyl)oxane-4-carboxamide;1-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-[4-(1,3-oxazol-5-yl)phenyl]ethanone;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pyridin-4-ylphenyl)oxane-4-carboxamide;2,3-dimethyl-N-pyridin-3-yl-2-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]butanamide (CID 158800522) is 4-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]phenyl]-N-(5-cyano-2-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-chloro-4-cyanophenyl)oxane-4-carboxamide;1-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-[4-(1,3-oxazol-5-yl)phenyl]ethanone;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pyridin-4-ylphenyl)oxane-4-carboxamide;2,3-dimethyl-N-pyridin-3-yl-2-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]butanamide.
What is the SMILES notation for 4-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]phenyl]-N-(5-cyano-2-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-chloro-4-cyanophenyl)oxane-4-carboxamide;1-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-[4-(1,3-oxazol-5-yl)phenyl]ethanone;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pyridin-4-ylphenyl)oxane-4-carboxamide;2,3-dimethyl-N-pyridin-3-yl-2-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]butanamide?
The canonical SMILES for 4-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]phenyl]-N-(5-cyano-2-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-chloro-4-cyanophenyl)oxane-4-carboxamide;1-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-[4-(1,3-oxazol-5-yl)phenyl]ethanone;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pyridin-4-ylphenyl)oxane-4-carboxamide;2,3-dimethyl-N-pyridin-3-yl-2-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]butanamide is CC(C)C(C)(C(=O)Nc1cccnc1)c1ccc(-c2cnc3[nH]ccc3c2)cc1.N#Cc1ccc(NC(=O)C2(c3ccc(-c4cnc(N)c(CO)c4)cc3)CCOCC2)nc1.N#Cc1ccc(NC(=O)C2(c3ccc(-c4cnc(N)nc4)cc3)CCOCC2)cc1Cl.Nc1ncc(-c2ccc(C3(C(=O)Cc4ccc(-c5cnco5)cc4)CCOCC3)cc2)cn1.Nc1ncc(-c2ccc(C3(C(=O)Nc4ccc(-c5ccncc5)cc4)CCOCC3)cc2)cn1.
What is the InChIKey of 4-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]phenyl]-N-(5-cyano-2-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-chloro-4-cyanophenyl)oxane-4-carboxamide;1-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-[4-(1,3-oxazol-5-yl)phenyl]ethanone;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pyridin-4-ylphenyl)oxane-4-carboxamide;2,3-dimethyl-N-pyridin-3-yl-2-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]butanamide?
The InChIKey is ITKRPDWNAAOFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O2.C26H24N4O3.C24H23N5O3.C24H24N4O.C23H20ClN5O2/c28-26-30-17-22(18-31-26)20-1-5-23(6-2-20)27(11-15-34-16-12-27)25(33)32-24-7-3-19(4-8-24)21-9-13-29-14-10-21;27-25-29-14-21(15-30-25)19-5-7-22(8-6-19)26(9-11-32-12-10-26)24(31)13-18-1-3-20(4-2-18)23-16-28-17-33-23;25-12-16-1-6-21(27-13-16)29-23(31)24(7-9-32-10-8-24)20-4-2-17(3-5-20)18-11-19(15-30)22(26)28-14-18;1-16(2)24(3,23(29)28-21-5-4-11-25-15-21)20-8-6-17(7-9-20)19-13-18-10-12-26-22(18)27-14-19;24-20-11-19(6-3-16(20)12-25)29-21(30)23(7-9-31-10-8-23)18-4-1-15(2-5-18)17-13-27-22(26)28-14-17/h1-10,13-14,17-18H,11-12,15-16H2,(H,32,33)(H2,28,30,31);1-8,14-17H,9-13H2,(H2,27,29,30);1-6,11,13-14,30H,7-10,15H2,(H2,26,28)(H,27,29,31);4-16H,1-3H3,(H,26,27)(H,28,29);1-6,11,13-14H,7-10H2,(H,29,30)(H2,26,27,28).
What are the key properties of 4-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]phenyl]-N-(5-cyano-2-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-chloro-4-cyanophenyl)oxane-4-carboxamide;1-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-[4-(1,3-oxazol-5-yl)phenyl]ethanone;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pyridin-4-ylphenyl)oxane-4-carboxamide;2,3-dimethyl-N-pyridin-3-yl-2-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]butanamide?
4-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]phenyl]-N-(5-cyano-2-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-chloro-4-cyanophenyl)oxane-4-carboxamide;1-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-[4-(1,3-oxazol-5-yl)phenyl]ethanone;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pyridin-4-ylphenyl)oxane-4-carboxamide;2,3-dimethyl-N-pyridin-3-yl-2-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]butanamide has a molecular weight of 2139.89 g/mol, XLogP of 20.61, 25 rotatable bonds, 10 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]phenyl]-N-(5-cyano-2-pyridinyl)oxane-4-carboxamide;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(3-chloro-4-cyanophenyl)oxane-4-carboxamide;1-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-[4-(1,3-oxazol-5-yl)phenyl]ethanone;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(4-pyridin-4-ylphenyl)oxane-4-carboxamide;2,3-dimethyl-N-pyridin-3-yl-2-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]butanamide is sourced from PubChem (CID 158800522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).