6-[benzyl(cyclopropyl)amino]-3-chloropyridine-2-carbonitrile

C16H14ClN3 — CID 133350905

IUPAC6-[benzyl(cyclopropyl)amino]-3-chloropyridine-2-carbonitrile
SMILESN#Cc1nc(N(Cc2ccccc2)C2CC2)ccc1Cl
InChIInChI=1S/C16H14ClN3/c17-14-8-9-16(19-15(14)10-18)20(13-6-7-13)11-12-4-2-1-3-5-12/h1-5,8-9,13H,6-7,11H2
InChIKeySOAUIFUDUQPQBI-UHFFFAOYSA-N
MW283.76 g/mol
LogP3.78
Rot. Bonds4

About 6-[benzyl(cyclopropyl)amino]-3-chloropyridine-2-carbonitrile

6-[benzyl(cyclopropyl)amino]-3-chloropyridine-2-carbonitrile (PubChem CID 133350905) has the molecular formula C16H14ClN3 and a molecular weight of 283.76 g/mol. Its IUPAC name is 6-[benzyl(cyclopropyl)amino]-3-chloropyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[benzyl(cyclopropyl)amino]-3-chloropyridine-2-carbonitrile
PubChem CID133350905
Molecular FormulaC16H14ClN3
Molecular Weight283.76 g/mol
Exact Mass283.09
IUPAC Name6-[benzyl(cyclopropyl)amino]-3-chloropyridine-2-carbonitrile
SMILESN#Cc1nc(N(Cc2ccccc2)C2CC2)ccc1Cl
InChIInChI=1S/C16H14ClN3/c17-14-8-9-16(19-15(14)10-18)20(13-6-7-13)11-12-4-2-1-3-5-12/h1-5,8-9,13H,6-7,11H2
InChIKeySOAUIFUDUQPQBI-UHFFFAOYSA-N
XLogP3.78
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-4-(4-chlorophenyl)-6-phenylnicotinonitrile
CID 711464
2-Amino-4-(2-chlorophenyl)-6-cyclopropylnicotinonitrile
CID 622734
2-Amino-4-(2-chlorophenyl)-6-phenylnicotinonitrile
CID 916396
6-(4-Chlorophenyl)-2-(diethylamino)-4-(trifluoromethyl)nicotinonitrile
CID 3814430
2-(Diethylamino)-4,6-diphenylpyridine-3-carbonitrile
CID 44522390
6-[Methyl(1-phenylethyl)amino]-2-(trifluoromethyl)pyridine-3-carbonitrile
CID 168295236
N-benzyl-6-chloropyridin-2-amine
CID 2405403
2-Chloro-6-(dimethylamino)-4-phenylpyridine-3,5-dicarbonitrile
CID 49864068
2-[(2-Chlorophenyl)amino]-4,6-dimethylpyridine-3-carbonitrile
CID 661313
2-Amino-4-(4-chlorophenyl)-6-methyl-3-pyridinecarbonitrile
CID 743778
2-(Diethylamino)-6-phenyl-4-(trifluoromethyl)nicotinonitrile
CID 1477171
2-Chloro-6-(pyrrolidin-1''-yl)-4-phenylpyridine-3,5-dicarbonitrile
CID 46927954

Frequently Asked Questions

What is the IUPAC name of 6-[benzyl(cyclopropyl)amino]-3-chloropyridine-2-carbonitrile?
The IUPAC name of 6-[benzyl(cyclopropyl)amino]-3-chloropyridine-2-carbonitrile (CID 133350905) is 6-[benzyl(cyclopropyl)amino]-3-chloropyridine-2-carbonitrile.
What is the SMILES notation for 6-[benzyl(cyclopropyl)amino]-3-chloropyridine-2-carbonitrile?
The canonical SMILES for 6-[benzyl(cyclopropyl)amino]-3-chloropyridine-2-carbonitrile is N#Cc1nc(N(Cc2ccccc2)C2CC2)ccc1Cl.
What is the InChIKey of 6-[benzyl(cyclopropyl)amino]-3-chloropyridine-2-carbonitrile?
The InChIKey is SOAUIFUDUQPQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3/c17-14-8-9-16(19-15(14)10-18)20(13-6-7-13)11-12-4-2-1-3-5-12/h1-5,8-9,13H,6-7,11H2.
What are the key properties of 6-[benzyl(cyclopropyl)amino]-3-chloropyridine-2-carbonitrile?
6-[benzyl(cyclopropyl)amino]-3-chloropyridine-2-carbonitrile has a molecular weight of 283.76 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[benzyl(cyclopropyl)amino]-3-chloropyridine-2-carbonitrile is sourced from PubChem (CID 133350905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).