6-[(2R)-2-(cyclohexylmethyl)pyrrolidine-1-carbonyl]-2-methylpyridine-3-carbonitrile

C19H25N3O — CID 97210921

IUPAC6-[(2R)-2-(cyclohexylmethyl)pyrrolidine-1-carbonyl]-2-methylpyridine-3-carbonitrile
SMILESCc1nc(C(=O)N2CCC[C@@H]2CC2CCCCC2)ccc1C#N
InChIInChI=1S/C19H25N3O/c1-14-16(13-20)9-10-18(21-14)19(23)22-11-5-8-17(22)12-15-6-3-2-4-7-15/h9-10,15,17H,2-8,11-12H2,1H3/t17-/m1/s1
InChIKeyPGAHRJUTSGSABS-QGZVFWFLSA-N
MW311.43 g/mol
LogP3.84
Rot. Bonds3

About 6-[(2R)-2-(cyclohexylmethyl)pyrrolidine-1-carbonyl]-2-methylpyridine-3-carbonitrile

6-[(2R)-2-(cyclohexylmethyl)pyrrolidine-1-carbonyl]-2-methylpyridine-3-carbonitrile (PubChem CID 97210921) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 6-[(2R)-2-(cyclohexylmethyl)pyrrolidine-1-carbonyl]-2-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(2R)-2-(cyclohexylmethyl)pyrrolidine-1-carbonyl]-2-methylpyridine-3-carbonitrile
PubChem CID97210921
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name6-[(2R)-2-(cyclohexylmethyl)pyrrolidine-1-carbonyl]-2-methylpyridine-3-carbonitrile
SMILESCc1nc(C(=O)N2CCC[C@@H]2CC2CCCCC2)ccc1C#N
InChIInChI=1S/C19H25N3O/c1-14-16(13-20)9-10-18(21-14)19(23)22-11-5-8-17(22)12-15-6-3-2-4-7-15/h9-10,15,17H,2-8,11-12H2,1H3/t17-/m1/s1
InChIKeyPGAHRJUTSGSABS-QGZVFWFLSA-N
XLogP3.84
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-[2-(hydroxymethyl)azepane-1-carbonyl]-2-methylpyridine-3-carbonitrile
CID 116636076
2-methyl-6-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]pyridine-3-carbonitrile
CID 95605633
6-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl]-2-methylpyridine-3-carbonitrile
CID 97066130
2-methyl-6-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyridine-3-carbonitrile
CID 95762363
2-methyl-6-[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]pyridine-3-carbonitrile
CID 129398226
6-(2-ethylazepane-1-carbonyl)-2-methylpyridine-3-carboxylic acid
CID 104691187
1-(5-cyano-6-methylpyridine-2-carbonyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide
CID 78864921
[2-(cyclohexylmethyl)pyrrolidin-1-yl]-[4-(methoxymethyl)phenyl]methanone
CID 60604837
(2S,3aS,7aS)-1-(5-cyano-6-methylpyridine-2-carbonyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 129467155
5-cyano-6-methylpyridine-2-carboxylic acid;ethane
CID 143901939
[2-(cyclohexylmethyl)pyrrolidin-1-yl]-[2-(oxan-4-yl)-1,3-oxazol-4-yl]methanone
CID 127894473
[6-[(2S)-2-ethylpiperidine-1-carbonyl]-2-pyridinyl]-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 40585097

Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-2-(cyclohexylmethyl)pyrrolidine-1-carbonyl]-2-methylpyridine-3-carbonitrile?
The IUPAC name of 6-[(2R)-2-(cyclohexylmethyl)pyrrolidine-1-carbonyl]-2-methylpyridine-3-carbonitrile (CID 97210921) is 6-[(2R)-2-(cyclohexylmethyl)pyrrolidine-1-carbonyl]-2-methylpyridine-3-carbonitrile.
What is the SMILES notation for 6-[(2R)-2-(cyclohexylmethyl)pyrrolidine-1-carbonyl]-2-methylpyridine-3-carbonitrile?
The canonical SMILES for 6-[(2R)-2-(cyclohexylmethyl)pyrrolidine-1-carbonyl]-2-methylpyridine-3-carbonitrile is Cc1nc(C(=O)N2CCC[C@@H]2CC2CCCCC2)ccc1C#N.
What is the InChIKey of 6-[(2R)-2-(cyclohexylmethyl)pyrrolidine-1-carbonyl]-2-methylpyridine-3-carbonitrile?
The InChIKey is PGAHRJUTSGSABS-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H25N3O/c1-14-16(13-20)9-10-18(21-14)19(23)22-11-5-8-17(22)12-15-6-3-2-4-7-15/h9-10,15,17H,2-8,11-12H2,1H3/t17-/m1/s1.
What are the key properties of 6-[(2R)-2-(cyclohexylmethyl)pyrrolidine-1-carbonyl]-2-methylpyridine-3-carbonitrile?
6-[(2R)-2-(cyclohexylmethyl)pyrrolidine-1-carbonyl]-2-methylpyridine-3-carbonitrile has a molecular weight of 311.43 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-2-(cyclohexylmethyl)pyrrolidine-1-carbonyl]-2-methylpyridine-3-carbonitrile is sourced from PubChem (CID 97210921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).