2-[(4-chlorophenyl)methyl-methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

C17H16ClN3 — CID 60980616

IUPAC2-[(4-chlorophenyl)methyl-methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCN(Cc1ccc(Cl)cc1)c1nc2c(cc1C#N)CCC2
InChIInChI=1S/C17H16ClN3/c1-21(11-12-5-7-15(18)8-6-12)17-14(10-19)9-13-3-2-4-16(13)20-17/h5-9H,2-4,11H2,1H3
InChIKeyKULQRDLDKLASEP-UHFFFAOYSA-N
MW297.79 g/mol
LogP3.73
Rot. Bonds3

About 2-[(4-chlorophenyl)methyl-methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

2-[(4-chlorophenyl)methyl-methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (PubChem CID 60980616) has the molecular formula C17H16ClN3 and a molecular weight of 297.79 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl-methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl-methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
PubChem CID60980616
Molecular FormulaC17H16ClN3
Molecular Weight297.79 g/mol
Exact Mass297.10
IUPAC Name2-[(4-chlorophenyl)methyl-methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCN(Cc1ccc(Cl)cc1)c1nc2c(cc1C#N)CCC2
InChIInChI=1S/C17H16ClN3/c1-21(11-12-5-7-15(18)8-6-12)17-14(10-19)9-13-3-2-4-16(13)20-17/h5-9H,2-4,11H2,1H3
InChIKeyKULQRDLDKLASEP-UHFFFAOYSA-N
XLogP3.73
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-bromothiophen-3-yl)methyl-methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 61398281
2-[(4-chlorophenyl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 60981107
2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 63838332
2-[(2-hydroxy-2-methylpropyl)-methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 78964766
2-[cyclopentylmethyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 63656342
2-[bis(2-methylpropyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 63511622
2-(4-chloroanilino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 54944869
2-chloro-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3779818
2-[cyclopentyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 54940936
2-[1-cyanopropan-2-yl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 63224853
2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 79313692
2-chloro-5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[b]pyridine-3-carbonitrile
CID 63460303

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl-methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The IUPAC name of 2-[(4-chlorophenyl)methyl-methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (CID 60980616) is 2-[(4-chlorophenyl)methyl-methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl-methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The canonical SMILES for 2-[(4-chlorophenyl)methyl-methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is CN(Cc1ccc(Cl)cc1)c1nc2c(cc1C#N)CCC2.
What is the InChIKey of 2-[(4-chlorophenyl)methyl-methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The InChIKey is KULQRDLDKLASEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3/c1-21(11-12-5-7-15(18)8-6-12)17-14(10-19)9-13-3-2-4-16(13)20-17/h5-9H,2-4,11H2,1H3.
What are the key properties of 2-[(4-chlorophenyl)methyl-methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
2-[(4-chlorophenyl)methyl-methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile has a molecular weight of 297.79 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl-methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 60980616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).