2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

C16H22N4 — CID 79313692

IUPAC2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCN(CC1CCCN1C)c1nc2c(cc1C#N)CCC2
InChIInChI=1S/C16H22N4/c1-19-8-4-6-14(19)11-20(2)16-13(10-17)9-12-5-3-7-15(12)18-16/h9,14H,3-8,11H2,1-2H3
InChIKeyAPFIXXPCMSDSFJ-UHFFFAOYSA-N
MW270.38 g/mol
LogP1.97
Rot. Bonds3

About 2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (PubChem CID 79313692) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
PubChem CID79313692
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCN(CC1CCCN1C)c1nc2c(cc1C#N)CCC2
InChIInChI=1S/C16H22N4/c1-19-8-4-6-14(19)11-20(2)16-13(10-17)9-12-5-3-7-15(12)18-16/h9,14H,3-8,11H2,1-2H3
InChIKeyAPFIXXPCMSDSFJ-UHFFFAOYSA-N
XLogP1.97
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The IUPAC name of 2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (CID 79313692) is 2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The canonical SMILES for 2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is CN(CC1CCCN1C)c1nc2c(cc1C#N)CCC2.
What is the InChIKey of 2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The InChIKey is APFIXXPCMSDSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-19-8-4-6-14(19)11-20(2)16-13(10-17)9-12-5-3-7-15(12)18-16/h9,14H,3-8,11H2,1-2H3.
What are the key properties of 2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile has a molecular weight of 270.38 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 79313692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).