2-chloro-6-[(1-ethylpyrrolidin-2-yl)methylamino]pyridine-4-carbonitrile

C13H17ClN4 — CID 83074714

IUPAC2-chloro-6-[(1-ethylpyrrolidin-2-yl)methylamino]pyridine-4-carbonitrile
SMILESCCN1CCCC1CNc1cc(C#N)cc(Cl)n1
InChIInChI=1S/C13H17ClN4/c1-2-18-5-3-4-11(18)9-16-13-7-10(8-15)6-12(14)17-13/h6-7,11H,2-5,9H2,1H3,(H,16,17)
InChIKeySQRKQOQAMMFGPC-UHFFFAOYSA-N
MW264.76 g/mol
LogP2.50
Rot. Bonds4

About 2-chloro-6-[(1-ethylpyrrolidin-2-yl)methylamino]pyridine-4-carbonitrile

2-chloro-6-[(1-ethylpyrrolidin-2-yl)methylamino]pyridine-4-carbonitrile (PubChem CID 83074714) has the molecular formula C13H17ClN4 and a molecular weight of 264.76 g/mol. Its IUPAC name is 2-chloro-6-[(1-ethylpyrrolidin-2-yl)methylamino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-[(1-ethylpyrrolidin-2-yl)methylamino]pyridine-4-carbonitrile
PubChem CID83074714
Molecular FormulaC13H17ClN4
Molecular Weight264.76 g/mol
Exact Mass264.11
IUPAC Name2-chloro-6-[(1-ethylpyrrolidin-2-yl)methylamino]pyridine-4-carbonitrile
SMILESCCN1CCCC1CNc1cc(C#N)cc(Cl)n1
InChIInChI=1S/C13H17ClN4/c1-2-18-5-3-4-11(18)9-16-13-7-10(8-15)6-12(14)17-13/h6-7,11H,2-5,9H2,1H3,(H,16,17)
InChIKeySQRKQOQAMMFGPC-UHFFFAOYSA-N
XLogP2.50
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(1-ethylpyrrolidin-2-yl)methylamino]quinoline-4-carbonitrile
CID 63885618
2-chloro-4-[(1-ethylpyrrolidin-2-yl)methylamino]benzonitrile
CID 62946348
2-[(1-ethylpyrrolidin-2-yl)methylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 60707226
4-[(1-ethylpyrrolidin-2-yl)methylamino]-3-methylbenzonitrile
CID 60930598
6-ethyl-N-[(1-ethylpiperidin-2-yl)methyl]-2-methylpyrimidin-4-amine
CID 133460649
2-chloro-6-[(3-methylcyclopentyl)methylamino]pyridine-4-carbonitrile
CID 107414806
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-6-phenylpyrimidin-4-amine
CID 143955101
2-chloro-6-[(1-ethylpiperidin-4-yl)amino]pyridine-4-carbonitrile
CID 106193671
2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridin-4-amine
CID 102824002
2-[(1-ethylpyrrolidin-2-yl)methylamino]-5-fluorobenzonitrile
CID 63673607
6-chloro-2-[(1-ethylpyrrolidin-2-yl)methylamino]pyridine-3-carboxylic acid
CID 63376785
2-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine
CID 80777612

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(1-ethylpyrrolidin-2-yl)methylamino]pyridine-4-carbonitrile?
The IUPAC name of 2-chloro-6-[(1-ethylpyrrolidin-2-yl)methylamino]pyridine-4-carbonitrile (CID 83074714) is 2-chloro-6-[(1-ethylpyrrolidin-2-yl)methylamino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-chloro-6-[(1-ethylpyrrolidin-2-yl)methylamino]pyridine-4-carbonitrile?
The canonical SMILES for 2-chloro-6-[(1-ethylpyrrolidin-2-yl)methylamino]pyridine-4-carbonitrile is CCN1CCCC1CNc1cc(C#N)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-[(1-ethylpyrrolidin-2-yl)methylamino]pyridine-4-carbonitrile?
The InChIKey is SQRKQOQAMMFGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4/c1-2-18-5-3-4-11(18)9-16-13-7-10(8-15)6-12(14)17-13/h6-7,11H,2-5,9H2,1H3,(H,16,17).
What are the key properties of 2-chloro-6-[(1-ethylpyrrolidin-2-yl)methylamino]pyridine-4-carbonitrile?
2-chloro-6-[(1-ethylpyrrolidin-2-yl)methylamino]pyridine-4-carbonitrile has a molecular weight of 264.76 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(1-ethylpyrrolidin-2-yl)methylamino]pyridine-4-carbonitrile is sourced from PubChem (CID 83074714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).