5-cyano-N-[(2S)-2-cyano-4-phenylbutan-2-yl]-6-methylpyridine-2-carboxamide

C19H18N4O — CID 96515487

IUPAC5-cyano-N-[(2S)-2-cyano-4-phenylbutan-2-yl]-6-methylpyridine-2-carboxamide
SMILESCc1nc(C(=O)N[C@](C)(C#N)CCc2ccccc2)ccc1C#N
InChIInChI=1S/C19H18N4O/c1-14-16(12-20)8-9-17(22-14)18(24)23-19(2,13-21)11-10-15-6-4-3-5-7-15/h3-9H,10-11H2,1-2H3,(H,23,24)/t19-/m0/s1
InChIKeyJSKKOUCNKBGEJO-IBGZPJMESA-N
MW318.38 g/mol
LogP2.91
Rot. Bonds5

About 5-cyano-N-[(2S)-2-cyano-4-phenylbutan-2-yl]-6-methylpyridine-2-carboxamide

5-cyano-N-[(2S)-2-cyano-4-phenylbutan-2-yl]-6-methylpyridine-2-carboxamide (PubChem CID 96515487) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 5-cyano-N-[(2S)-2-cyano-4-phenylbutan-2-yl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[(2S)-2-cyano-4-phenylbutan-2-yl]-6-methylpyridine-2-carboxamide
PubChem CID96515487
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name5-cyano-N-[(2S)-2-cyano-4-phenylbutan-2-yl]-6-methylpyridine-2-carboxamide
SMILESCc1nc(C(=O)N[C@](C)(C#N)CCc2ccccc2)ccc1C#N
InChIInChI=1S/C19H18N4O/c1-14-16(12-20)8-9-17(22-14)18(24)23-19(2,13-21)11-10-15-6-4-3-5-7-15/h3-9H,10-11H2,1-2H3,(H,23,24)/t19-/m0/s1
InChIKeyJSKKOUCNKBGEJO-IBGZPJMESA-N
XLogP2.91
TPSA89.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyano-N-(1-hydroxy-3-methylpentan-3-yl)-6-methylpyridine-2-carboxamide
CID 103946065
3-tert-butyl-N-(2-cyano-4-phenylbutan-2-yl)-1-methylpyrazole-5-carboxamide
CID 71967815
5-cyano-N-(2-hydroxy-1-phenylethyl)-6-methylpyridine-2-carboxamide
CID 63182583
N-(2-cyano-4-phenylbutan-2-yl)-5-propan-2-yl-1,3-oxazole-4-carboxamide
CID 75381879
5-cyano-6-methylpyridine-2-carboxylic acid;ethane
CID 143901939
N-(2-cyano-4-phenylbutan-2-yl)-3-methylsulfonylpropanamide
CID 75381878
N-[(2R)-2-cyano-4-phenylbutan-2-yl]-5-(furan-2-yl)-1,3-oxazole-4-carboxamide
CID 97238400
2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]-2-thiophen-2-ylacetic acid
CID 115284162
3-[(5-cyano-6-methylpyridine-2-carbonyl)amino]-2-hydroxypropanoic acid
CID 66166861
2-[[2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]acetyl]amino]acetic acid
CID 43465318
5-cyano-N-[(2R)-1-hydroxypropan-2-yl]-6-methylpyridine-2-carboxamide
CID 79031139
5-cyano-N-[2-ethyl-2-(hydroxymethyl)butyl]-6-methylpyridine-2-carboxamide
CID 103843212

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[(2S)-2-cyano-4-phenylbutan-2-yl]-6-methylpyridine-2-carboxamide?
The IUPAC name of 5-cyano-N-[(2S)-2-cyano-4-phenylbutan-2-yl]-6-methylpyridine-2-carboxamide (CID 96515487) is 5-cyano-N-[(2S)-2-cyano-4-phenylbutan-2-yl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[(2S)-2-cyano-4-phenylbutan-2-yl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for 5-cyano-N-[(2S)-2-cyano-4-phenylbutan-2-yl]-6-methylpyridine-2-carboxamide is Cc1nc(C(=O)N[C@](C)(C#N)CCc2ccccc2)ccc1C#N.
What is the InChIKey of 5-cyano-N-[(2S)-2-cyano-4-phenylbutan-2-yl]-6-methylpyridine-2-carboxamide?
The InChIKey is JSKKOUCNKBGEJO-IBGZPJMESA-N. The full InChI is InChI=1S/C19H18N4O/c1-14-16(12-20)8-9-17(22-14)18(24)23-19(2,13-21)11-10-15-6-4-3-5-7-15/h3-9H,10-11H2,1-2H3,(H,23,24)/t19-/m0/s1.
What are the key properties of 5-cyano-N-[(2S)-2-cyano-4-phenylbutan-2-yl]-6-methylpyridine-2-carboxamide?
5-cyano-N-[(2S)-2-cyano-4-phenylbutan-2-yl]-6-methylpyridine-2-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[(2S)-2-cyano-4-phenylbutan-2-yl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 96515487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).