6-[[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]amino]pyridine-2-carbonitrile

C17H16ClN3 — CID 133392698

IUPAC6-[[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]amino]pyridine-2-carbonitrile
SMILESCC1CC1C(Nc1cccc(C#N)n1)c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClN3/c1-11-9-15(11)17(12-5-7-13(18)8-6-12)21-16-4-2-3-14(10-19)20-16/h2-8,11,15,17H,9H2,1H3,(H,20,21)
InChIKeyXMMSNVQDWWBBDD-UHFFFAOYSA-N
MW297.79 g/mol
LogP4.42
Rot. Bonds4

About 6-[[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]amino]pyridine-2-carbonitrile

6-[[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]amino]pyridine-2-carbonitrile (PubChem CID 133392698) has the molecular formula C17H16ClN3 and a molecular weight of 297.79 g/mol. Its IUPAC name is 6-[[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]amino]pyridine-2-carbonitrile
PubChem CID133392698
Molecular FormulaC17H16ClN3
Molecular Weight297.79 g/mol
Exact Mass297.10
IUPAC Name6-[[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]amino]pyridine-2-carbonitrile
SMILESCC1CC1C(Nc1cccc(C#N)n1)c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClN3/c1-11-9-15(11)17(12-5-7-13(18)8-6-12)21-16-4-2-3-14(10-19)20-16/h2-8,11,15,17H,9H2,1H3,(H,20,21)
InChIKeyXMMSNVQDWWBBDD-UHFFFAOYSA-N
XLogP4.42
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]amino]pyridine-2-carbonitrile?
The IUPAC name of 6-[[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]amino]pyridine-2-carbonitrile (CID 133392698) is 6-[[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]amino]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]amino]pyridine-2-carbonitrile?
The canonical SMILES for 6-[[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]amino]pyridine-2-carbonitrile is CC1CC1C(Nc1cccc(C#N)n1)c1ccc(Cl)cc1.
What is the InChIKey of 6-[[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]amino]pyridine-2-carbonitrile?
The InChIKey is XMMSNVQDWWBBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3/c1-11-9-15(11)17(12-5-7-13(18)8-6-12)21-16-4-2-3-14(10-19)20-16/h2-8,11,15,17H,9H2,1H3,(H,20,21).
What are the key properties of 6-[[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]amino]pyridine-2-carbonitrile?
6-[[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]amino]pyridine-2-carbonitrile has a molecular weight of 297.79 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 133392698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).