(2S)-2-cyano-3-(3,4-dimethoxyphenyl)-N-(5-methyl-2-pyridinyl)propanamide

C18H19N3O3 — CID 863471

IUPAC(2S)-2-cyano-3-(3,4-dimethoxyphenyl)-N-(5-methyl-2-pyridinyl)propanamide
SMILESCOc1ccc(C[C@@H](C#N)C(=O)Nc2ccc(C)cn2)cc1OC
InChIInChI=1S/C18H19N3O3/c1-12-4-7-17(20-11-12)21-18(22)14(10-19)8-13-5-6-15(23-2)16(9-13)24-3/h4-7,9,11,14H,8H2,1-3H3,(H,20,21,22)/t14-/m0/s1
InChIKeyHFKLKZAOELMMOL-AWEZNQCLSA-N
MW325.37 g/mol
LogP2.73
Rot. Bonds6

About (2S)-2-cyano-3-(3,4-dimethoxyphenyl)-N-(5-methyl-2-pyridinyl)propanamide

(2S)-2-cyano-3-(3,4-dimethoxyphenyl)-N-(5-methyl-2-pyridinyl)propanamide (PubChem CID 863471) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is (2S)-2-cyano-3-(3,4-dimethoxyphenyl)-N-(5-methyl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name(2S)-2-cyano-3-(3,4-dimethoxyphenyl)-N-(5-methyl-2-pyridinyl)propanamide
PubChem CID863471
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name(2S)-2-cyano-3-(3,4-dimethoxyphenyl)-N-(5-methyl-2-pyridinyl)propanamide
SMILESCOc1ccc(C[C@@H](C#N)C(=O)Nc2ccc(C)cn2)cc1OC
InChIInChI=1S/C18H19N3O3/c1-12-4-7-17(20-11-12)21-18(22)14(10-19)8-13-5-6-15(23-2)16(9-13)24-3/h4-7,9,11,14H,8H2,1-3H3,(H,20,21,22)/t14-/m0/s1
InChIKeyHFKLKZAOELMMOL-AWEZNQCLSA-N
XLogP2.73
TPSA84.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyano-N-(5-methyl-2-pyridinyl)-3-pyridin-4-ylpropanamide
CID 4674478
(2R)-2-cyano-3-(3,4-dimethoxyphenyl)propanoic acid
CID 27282038
(2S)-2-cyano-3-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)propanamide
CID 763346
2-cyano-N-(2,5-dimethylphenyl)-3-(4-hydroxy-3-methoxyphenyl)propanamide
CID 5005975
(2S)-2-cyano-N-(2-methoxyphenyl)-3-(4-methylphenyl)propanamide
CID 763342
3,4-dimethoxy-N-(5-methyl-2-pyridinyl)benzamide;hydrochloride
CID 163326261
3-cyano-4-methoxy-N-(5-methyl-2-pyridinyl)benzamide
CID 143484074
(2S,4S,5S,7S)-5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-N-(5-methyl-2-pyridinyl)-2-propan-2-ylnonanamide
CID 23653081
3-[[N-[(3,4-dimethoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]-N-(5-methyl-2-pyridinyl)propanamide;hydroiodide
CID 111202913
(2S)-2-cyano-N-(2-ethylphenyl)-3-(4-hydroxy-3-methoxyphenyl)propanamide
CID 7303724
2-(3,4-dimethoxyphenyl)-N-[5-(2,5-dimethylanilino)-2-pyridinyl]acetamide
CID 113032044
2-(3,4-dimethoxyphenyl)-N-[5-[(3-methylphenyl)methylamino]-2-pyridinyl]acetamide
CID 113026619

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyano-3-(3,4-dimethoxyphenyl)-N-(5-methyl-2-pyridinyl)propanamide?
The IUPAC name of (2S)-2-cyano-3-(3,4-dimethoxyphenyl)-N-(5-methyl-2-pyridinyl)propanamide (CID 863471) is (2S)-2-cyano-3-(3,4-dimethoxyphenyl)-N-(5-methyl-2-pyridinyl)propanamide.
What is the SMILES notation for (2S)-2-cyano-3-(3,4-dimethoxyphenyl)-N-(5-methyl-2-pyridinyl)propanamide?
The canonical SMILES for (2S)-2-cyano-3-(3,4-dimethoxyphenyl)-N-(5-methyl-2-pyridinyl)propanamide is COc1ccc(C[C@@H](C#N)C(=O)Nc2ccc(C)cn2)cc1OC.
What is the InChIKey of (2S)-2-cyano-3-(3,4-dimethoxyphenyl)-N-(5-methyl-2-pyridinyl)propanamide?
The InChIKey is HFKLKZAOELMMOL-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-12-4-7-17(20-11-12)21-18(22)14(10-19)8-13-5-6-15(23-2)16(9-13)24-3/h4-7,9,11,14H,8H2,1-3H3,(H,20,21,22)/t14-/m0/s1.
What are the key properties of (2S)-2-cyano-3-(3,4-dimethoxyphenyl)-N-(5-methyl-2-pyridinyl)propanamide?
(2S)-2-cyano-3-(3,4-dimethoxyphenyl)-N-(5-methyl-2-pyridinyl)propanamide has a molecular weight of 325.37 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyano-3-(3,4-dimethoxyphenyl)-N-(5-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 863471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).