2-chloro-6-[(3-methylcyclopentyl)methylamino]pyridine-4-carbonitrile

C13H16ClN3 — CID 107414806

IUPAC2-chloro-6-[(3-methylcyclopentyl)methylamino]pyridine-4-carbonitrile
SMILESCC1CCC(CNc2cc(C#N)cc(Cl)n2)C1
InChIInChI=1S/C13H16ClN3/c1-9-2-3-10(4-9)8-16-13-6-11(7-15)5-12(14)17-13/h5-6,9-10H,2-4,8H2,1H3,(H,16,17)
InChIKeyDJGRGWYAIJZMAA-UHFFFAOYSA-N
MW249.74 g/mol
LogP3.45
Rot. Bonds3

About 2-chloro-6-[(3-methylcyclopentyl)methylamino]pyridine-4-carbonitrile

2-chloro-6-[(3-methylcyclopentyl)methylamino]pyridine-4-carbonitrile (PubChem CID 107414806) has the molecular formula C13H16ClN3 and a molecular weight of 249.74 g/mol. Its IUPAC name is 2-chloro-6-[(3-methylcyclopentyl)methylamino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-[(3-methylcyclopentyl)methylamino]pyridine-4-carbonitrile
PubChem CID107414806
Molecular FormulaC13H16ClN3
Molecular Weight249.74 g/mol
Exact Mass249.10
IUPAC Name2-chloro-6-[(3-methylcyclopentyl)methylamino]pyridine-4-carbonitrile
SMILESCC1CCC(CNc2cc(C#N)cc(Cl)n2)C1
InChIInChI=1S/C13H16ClN3/c1-9-2-3-10(4-9)8-16-13-6-11(7-15)5-12(14)17-13/h5-6,9-10H,2-4,8H2,1H3,(H,16,17)
InChIKeyDJGRGWYAIJZMAA-UHFFFAOYSA-N
XLogP3.45
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-[(1,1-dioxothiolan-3-yl)methylamino]pyridine-4-carbonitrile
CID 83077156
5-[(3-methylcyclopentyl)methylamino]pyrazine-2-carbonitrile
CID 107413331
2-chloro-6-[(1-ethylpyrrolidin-2-yl)methylamino]pyridine-4-carbonitrile
CID 83074714
2-chloro-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 107414764
6-chloro-N-[(4-methylcyclohexyl)methyl]-2-methylsulfanylpyrimidin-4-amine
CID 80547154
6-hydrazinyl-4-N-[(3-methylcyclopentyl)methyl]pyrimidine-2,4-diamine
CID 107416016
2-cyclopropyl-6-N-ethyl-4-N-[(3-methylcyclopentyl)methyl]pyrimidine-4,6-diamine
CID 107415826
6-chloro-2-N-(cyclopropylmethyl)pyridine-2,4-diamine
CID 104918835
2-chloro-6-(2-methylprop-2-enylamino)pyridine-4-carbonitrile
CID 106196714
2-chloro-6-(3,3-dichloroprop-2-enylamino)pyridine-4-carbonitrile
CID 164646266
3-[(3-methylcyclopentyl)methylamino]pyrazine-2-carbonitrile
CID 107413310
5,6-dimethyl-N-[(3-methylcyclopentyl)methyl]pyrazin-2-amine
CID 107414033

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(3-methylcyclopentyl)methylamino]pyridine-4-carbonitrile?
The IUPAC name of 2-chloro-6-[(3-methylcyclopentyl)methylamino]pyridine-4-carbonitrile (CID 107414806) is 2-chloro-6-[(3-methylcyclopentyl)methylamino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-chloro-6-[(3-methylcyclopentyl)methylamino]pyridine-4-carbonitrile?
The canonical SMILES for 2-chloro-6-[(3-methylcyclopentyl)methylamino]pyridine-4-carbonitrile is CC1CCC(CNc2cc(C#N)cc(Cl)n2)C1.
What is the InChIKey of 2-chloro-6-[(3-methylcyclopentyl)methylamino]pyridine-4-carbonitrile?
The InChIKey is DJGRGWYAIJZMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c1-9-2-3-10(4-9)8-16-13-6-11(7-15)5-12(14)17-13/h5-6,9-10H,2-4,8H2,1H3,(H,16,17).
What are the key properties of 2-chloro-6-[(3-methylcyclopentyl)methylamino]pyridine-4-carbonitrile?
2-chloro-6-[(3-methylcyclopentyl)methylamino]pyridine-4-carbonitrile has a molecular weight of 249.74 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(3-methylcyclopentyl)methylamino]pyridine-4-carbonitrile is sourced from PubChem (CID 107414806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).