3-(2-chlorophenyl)-3-[[5-(3-cyanophenyl)-6-methoxypyridine-3-carbonyl]amino]propanoic acid

C23H18ClN3O4 — CID 122472331

IUPAC3-(2-chlorophenyl)-3-[[5-(3-cyanophenyl)-6-methoxypyridine-3-carbonyl]amino]propanoic acid
SMILESCOc1ncc(C(=O)NC(CC(=O)O)c2ccccc2Cl)cc1-c1cccc(C#N)c1
InChIInChI=1S/C23H18ClN3O4/c1-31-23-18(15-6-4-5-14(9-15)12-25)10-16(13-26-23)22(30)27-20(11-21(28)29)17-7-2-3-8-19(17)24/h2-10,13,20H,11H2,1H3,(H,27,30)(H,28,29)
InChIKeyIRVFGWCULVQEEU-UHFFFAOYSA-N
MW435.87 g/mol
LogP4.23
Rot. Bonds7

About 3-(2-chlorophenyl)-3-[[5-(3-cyanophenyl)-6-methoxypyridine-3-carbonyl]amino]propanoic acid

3-(2-chlorophenyl)-3-[[5-(3-cyanophenyl)-6-methoxypyridine-3-carbonyl]amino]propanoic acid (PubChem CID 122472331) has the molecular formula C23H18ClN3O4 and a molecular weight of 435.87 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-3-[[5-(3-cyanophenyl)-6-methoxypyridine-3-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-(2-chlorophenyl)-3-[[5-(3-cyanophenyl)-6-methoxypyridine-3-carbonyl]amino]propanoic acid
PubChem CID122472331
Molecular FormulaC23H18ClN3O4
Molecular Weight435.87 g/mol
Exact Mass435.10
IUPAC Name3-(2-chlorophenyl)-3-[[5-(3-cyanophenyl)-6-methoxypyridine-3-carbonyl]amino]propanoic acid
SMILESCOc1ncc(C(=O)NC(CC(=O)O)c2ccccc2Cl)cc1-c1cccc(C#N)c1
InChIInChI=1S/C23H18ClN3O4/c1-31-23-18(15-6-4-5-14(9-15)12-25)10-16(13-26-23)22(30)27-20(11-21(28)29)17-7-2-3-8-19(17)24/h2-10,13,20H,11H2,1H3,(H,27,30)(H,28,29)
InChIKeyIRVFGWCULVQEEU-UHFFFAOYSA-N
XLogP4.23
TPSA112.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.87
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-chlorophenyl)-3-[[6-methoxy-5-(3-phenylphenyl)pyridine-3-carbonyl]amino]propanoic acid
CID 122472349
3-[[6-methoxy-5-(3-methylphenyl)pyridine-3-carbonyl]amino]-3-(2-methylphenyl)propanoic acid
CID 122472322
methyl 3-(2-chlorophenyl)-3-[(3-cyanobenzoyl)amino]propanoate
CID 51256847
3-(2-chlorophenyl)-3-[[6-(4-cyano-2-fluorophenyl)-5-methoxypyridine-2-carbonyl]amino]propanoic acid
CID 122472396
1-[2-[5-(3-cyanophenyl)-6-methoxy-3-pyridinyl]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 153016587
3-[(3-cyanobenzoyl)amino]-3-(4-methoxyphenyl)propanoic acid
CID 154775247
(3S)-3-(2-chlorophenyl)-3-(pyrazine-2-carbonylamino)propanoic acid
CID 94182414
methyl 6-methoxy-5-phenylpyridine-3-carboxylate
CID 86104556
6-methoxy-5-phenylpyridine-3-carboxylic acid
CID 46315030
(3S)-3-(2-chlorophenyl)-3-(pyridine-2-carbonylamino)propanoic acid
CID 125467429
(3S)-3-(2-chlorophenyl)-3-[(1-methyl-2-oxopyridine-4-carbonyl)amino]propanoic acid
CID 94022754
(3R)-3-(2-chlorophenyl)-3-[(2,5-dimethylpyrazole-3-carbonyl)amino]propanoic acid
CID 97215063

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-3-[[5-(3-cyanophenyl)-6-methoxypyridine-3-carbonyl]amino]propanoic acid?
The IUPAC name of 3-(2-chlorophenyl)-3-[[5-(3-cyanophenyl)-6-methoxypyridine-3-carbonyl]amino]propanoic acid (CID 122472331) is 3-(2-chlorophenyl)-3-[[5-(3-cyanophenyl)-6-methoxypyridine-3-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-(2-chlorophenyl)-3-[[5-(3-cyanophenyl)-6-methoxypyridine-3-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-(2-chlorophenyl)-3-[[5-(3-cyanophenyl)-6-methoxypyridine-3-carbonyl]amino]propanoic acid is COc1ncc(C(=O)NC(CC(=O)O)c2ccccc2Cl)cc1-c1cccc(C#N)c1.
What is the InChIKey of 3-(2-chlorophenyl)-3-[[5-(3-cyanophenyl)-6-methoxypyridine-3-carbonyl]amino]propanoic acid?
The InChIKey is IRVFGWCULVQEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O4/c1-31-23-18(15-6-4-5-14(9-15)12-25)10-16(13-26-23)22(30)27-20(11-21(28)29)17-7-2-3-8-19(17)24/h2-10,13,20H,11H2,1H3,(H,27,30)(H,28,29).
What are the key properties of 3-(2-chlorophenyl)-3-[[5-(3-cyanophenyl)-6-methoxypyridine-3-carbonyl]amino]propanoic acid?
3-(2-chlorophenyl)-3-[[5-(3-cyanophenyl)-6-methoxypyridine-3-carbonyl]amino]propanoic acid has a molecular weight of 435.87 g/mol, XLogP of 4.23, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-3-[[5-(3-cyanophenyl)-6-methoxypyridine-3-carbonyl]amino]propanoic acid is sourced from PubChem (CID 122472331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).