N-[4-[2-fluoro-4-[[6-methoxy-3-(2-phenylacetyl)-2-pyridinyl]methyl]phenoxy]-2-pyridinyl]morpholine-4-carboxamide

C31H29FN4O5 — CID 123296532

IUPACN-[4-[2-fluoro-4-[[6-methoxy-3-(2-phenylacetyl)-2-pyridinyl]methyl]phenoxy]-2-pyridinyl]morpholine-4-carboxamide
SMILESCOc1ccc(C(=O)Cc2ccccc2)c(Cc2ccc(Oc3ccnc(NC(=O)N4CCOCC4)c3)c(F)c2)n1
InChIInChI=1S/C31H29FN4O5/c1-39-30-10-8-24(27(37)19-21-5-3-2-4-6-21)26(34-30)18-22-7-9-28(25(32)17-22)41-23-11-12-33-29(20-23)35-31(38)36-13-15-40-16-14-36/h2-12,17,20H,13-16,18-19H2,1H3,(H,33,35,38)
InChIKeyRGWAESTUMUWTET-UHFFFAOYSA-N
MW556.59 g/mol
LogP5.30
Rot. Bonds9

About N-[4-[2-fluoro-4-[[6-methoxy-3-(2-phenylacetyl)-2-pyridinyl]methyl]phenoxy]-2-pyridinyl]morpholine-4-carboxamide

N-[4-[2-fluoro-4-[[6-methoxy-3-(2-phenylacetyl)-2-pyridinyl]methyl]phenoxy]-2-pyridinyl]morpholine-4-carboxamide (PubChem CID 123296532) has the molecular formula C31H29FN4O5 and a molecular weight of 556.59 g/mol. Its IUPAC name is N-[4-[2-fluoro-4-[[6-methoxy-3-(2-phenylacetyl)-2-pyridinyl]methyl]phenoxy]-2-pyridinyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[2-fluoro-4-[[6-methoxy-3-(2-phenylacetyl)-2-pyridinyl]methyl]phenoxy]-2-pyridinyl]morpholine-4-carboxamide
PubChem CID123296532
Molecular FormulaC31H29FN4O5
Molecular Weight556.59 g/mol
Exact Mass556.21
IUPAC NameN-[4-[2-fluoro-4-[[6-methoxy-3-(2-phenylacetyl)-2-pyridinyl]methyl]phenoxy]-2-pyridinyl]morpholine-4-carboxamide
SMILESCOc1ccc(C(=O)Cc2ccccc2)c(Cc2ccc(Oc3ccnc(NC(=O)N4CCOCC4)c3)c(F)c2)n1
InChIInChI=1S/C31H29FN4O5/c1-39-30-10-8-24(27(37)19-21-5-3-2-4-6-21)26(34-30)18-22-7-9-28(25(32)17-22)41-23-11-12-33-29(20-23)35-31(38)36-13-15-40-16-14-36/h2-12,17,20H,13-16,18-19H2,1H3,(H,33,35,38)
InChIKeyRGWAESTUMUWTET-UHFFFAOYSA-N
XLogP5.30
TPSA102.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.59
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-[2-fluoro-4-[[6-methoxy-3-(2-phenylacetyl)-2-pyridinyl]methyl]phenoxy]-2-pyridinyl]morpholine-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-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]-N,N-dimethylbenzamide
CID 44521025
4-[6-(4-morpholin-4-ylbut-2-ynoylamino)quinolin-4-yl]oxy-N-pyridin-2-ylbenzamide
CID 121280705
4-[6-(5-morpholin-4-ylpent-2-ynoylamino)quinolin-4-yl]oxy-N-pyridin-2-ylbenzamide
CID 145059705
2-(2,6-dimethoxypyridin-3-yl)-6-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-N-(2-phenoxyethyl)pyridine-3-carboxamide
CID 25198729
2-[benzyl(ethyl)amino]-4-(2,6-dimethoxypyridin-3-yl)-N-(2-phenoxyethyl)pyrimidine-5-carboxamide
CID 25218728
6-[[5-fluoro-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]amino]-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]pyridine-3-carboxamide
CID 127040232
4-Fluoro-N-[6-(2-furyl)-5-pyridin-4-ylpyrazin-2-yl]benzamide
CID 16070216
N-[(2S)-1-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]-3-hydroxy-1-oxopropan-2-yl]pyridine-2-carboxamide
CID 57406788
N-[(2S)-1-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]-4-methyl-1-oxopentan-2-yl]pyridine-2-carboxamide
CID 57407347
2-((3-fluorophenoxy)methyl)-6-(5-fluoropyridin-2-yl)-7,8-dihydro-1,6-naphthyridin-5(6H)-one
CID 68008189
N-methyl-6-[[2-[(4-morpholin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide
CID 145351739
7-formyl-N-[5-[2-(3-methoxyphenyl)ethyl]-4-propan-2-yloxy-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 166626969

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-fluoro-4-[[6-methoxy-3-(2-phenylacetyl)-2-pyridinyl]methyl]phenoxy]-2-pyridinyl]morpholine-4-carboxamide?
The IUPAC name of N-[4-[2-fluoro-4-[[6-methoxy-3-(2-phenylacetyl)-2-pyridinyl]methyl]phenoxy]-2-pyridinyl]morpholine-4-carboxamide (CID 123296532) is N-[4-[2-fluoro-4-[[6-methoxy-3-(2-phenylacetyl)-2-pyridinyl]methyl]phenoxy]-2-pyridinyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[4-[2-fluoro-4-[[6-methoxy-3-(2-phenylacetyl)-2-pyridinyl]methyl]phenoxy]-2-pyridinyl]morpholine-4-carboxamide?
The canonical SMILES for N-[4-[2-fluoro-4-[[6-methoxy-3-(2-phenylacetyl)-2-pyridinyl]methyl]phenoxy]-2-pyridinyl]morpholine-4-carboxamide is COc1ccc(C(=O)Cc2ccccc2)c(Cc2ccc(Oc3ccnc(NC(=O)N4CCOCC4)c3)c(F)c2)n1.
What is the InChIKey of N-[4-[2-fluoro-4-[[6-methoxy-3-(2-phenylacetyl)-2-pyridinyl]methyl]phenoxy]-2-pyridinyl]morpholine-4-carboxamide?
The InChIKey is RGWAESTUMUWTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29FN4O5/c1-39-30-10-8-24(27(37)19-21-5-3-2-4-6-21)26(34-30)18-22-7-9-28(25(32)17-22)41-23-11-12-33-29(20-23)35-31(38)36-13-15-40-16-14-36/h2-12,17,20H,13-16,18-19H2,1H3,(H,33,35,38).
What are the key properties of N-[4-[2-fluoro-4-[[6-methoxy-3-(2-phenylacetyl)-2-pyridinyl]methyl]phenoxy]-2-pyridinyl]morpholine-4-carboxamide?
N-[4-[2-fluoro-4-[[6-methoxy-3-(2-phenylacetyl)-2-pyridinyl]methyl]phenoxy]-2-pyridinyl]morpholine-4-carboxamide has a molecular weight of 556.59 g/mol, XLogP of 5.30, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-fluoro-4-[[6-methoxy-3-(2-phenylacetyl)-2-pyridinyl]methyl]phenoxy]-2-pyridinyl]morpholine-4-carboxamide is sourced from PubChem (CID 123296532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).