2-cyano-N-(5-methyl-2-pyridinyl)-3-pyridin-4-ylpropanamide

C15H14N4O — CID 4674478

IUPAC2-cyano-N-(5-methyl-2-pyridinyl)-3-pyridin-4-ylpropanamide
SMILESCc1ccc(NC(=O)C(C#N)Cc2ccncc2)nc1
InChIInChI=1S/C15H14N4O/c1-11-2-3-14(18-10-11)19-15(20)13(9-16)8-12-4-6-17-7-5-12/h2-7,10,13H,8H2,1H3,(H,18,19,20)
InChIKeyOAOJQUXTLRCYAJ-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.11
Rot. Bonds4

About 2-cyano-N-(5-methyl-2-pyridinyl)-3-pyridin-4-ylpropanamide

2-cyano-N-(5-methyl-2-pyridinyl)-3-pyridin-4-ylpropanamide (PubChem CID 4674478) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-cyano-N-(5-methyl-2-pyridinyl)-3-pyridin-4-ylpropanamide.

Molecular Properties

Compound Name2-cyano-N-(5-methyl-2-pyridinyl)-3-pyridin-4-ylpropanamide
PubChem CID4674478
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name2-cyano-N-(5-methyl-2-pyridinyl)-3-pyridin-4-ylpropanamide
SMILESCc1ccc(NC(=O)C(C#N)Cc2ccncc2)nc1
InChIInChI=1S/C15H14N4O/c1-11-2-3-14(18-10-11)19-15(20)13(9-16)8-12-4-6-17-7-5-12/h2-7,10,13H,8H2,1H3,(H,18,19,20)
InChIKeyOAOJQUXTLRCYAJ-UHFFFAOYSA-N
XLogP2.11
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-cyano-3-(3,4-dimethoxyphenyl)-N-(5-methyl-2-pyridinyl)propanamide
CID 863471
2-cyano-N-(4-ethoxyphenyl)-3-pyridin-4-ylpropanamide
CID 3313060
2-cyano-N-(2-methoxyphenyl)-3-pyridin-4-ylpropanamide
CID 3169981
(2S)-2-amino-N-(5-methyl-2-pyridinyl)propanamide
CID 61147752
2-cyano-N-(dipyridin-4-ylmethylideneamino)-3-pyridin-4-ylpropanamide
CID 154386442
2-cyano-N-(6-oxo-1H-pyridazin-3-yl)-3-phenylpropanamide
CID 116787076
2-cyano-3-(4-methylphenyl)-N-propan-2-ylpropanamide
CID 82115695
(2S)-N-(5-methyl-2-pyridinyl)-2-methylsulfonylpropanamide
CID 94025050
N-tert-butyl-2-cyano-3-(4-methylphenyl)propanamide
CID 82118130
2-cyano-N-cyclopentyl-3-(4-methylphenyl)propanamide
CID 82120555
N,N'-bis(5-methyl-2-pyridinyl)-2-phenylpropanediamide
CID 3419355
(2R)-2-(4-cyanophenoxy)-N-(5-methyl-2-pyridinyl)propanamide
CID 40953055

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(5-methyl-2-pyridinyl)-3-pyridin-4-ylpropanamide?
The IUPAC name of 2-cyano-N-(5-methyl-2-pyridinyl)-3-pyridin-4-ylpropanamide (CID 4674478) is 2-cyano-N-(5-methyl-2-pyridinyl)-3-pyridin-4-ylpropanamide.
What is the SMILES notation for 2-cyano-N-(5-methyl-2-pyridinyl)-3-pyridin-4-ylpropanamide?
The canonical SMILES for 2-cyano-N-(5-methyl-2-pyridinyl)-3-pyridin-4-ylpropanamide is Cc1ccc(NC(=O)C(C#N)Cc2ccncc2)nc1.
What is the InChIKey of 2-cyano-N-(5-methyl-2-pyridinyl)-3-pyridin-4-ylpropanamide?
The InChIKey is OAOJQUXTLRCYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-11-2-3-14(18-10-11)19-15(20)13(9-16)8-12-4-6-17-7-5-12/h2-7,10,13H,8H2,1H3,(H,18,19,20).
What are the key properties of 2-cyano-N-(5-methyl-2-pyridinyl)-3-pyridin-4-ylpropanamide?
2-cyano-N-(5-methyl-2-pyridinyl)-3-pyridin-4-ylpropanamide has a molecular weight of 266.30 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(5-methyl-2-pyridinyl)-3-pyridin-4-ylpropanamide is sourced from PubChem (CID 4674478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).