6-[cyclopropyl-[(3,4-dimethylphenyl)methyl]amino]pyridine-2-carbonitrile

C18H19N3 — CID 133392631

IUPAC6-[cyclopropyl-[(3,4-dimethylphenyl)methyl]amino]pyridine-2-carbonitrile
SMILESCc1ccc(CN(c2cccc(C#N)n2)C2CC2)cc1C
InChIInChI=1S/C18H19N3/c1-13-6-7-15(10-14(13)2)12-21(17-8-9-17)18-5-3-4-16(11-19)20-18/h3-7,10,17H,8-9,12H2,1-2H3
InChIKeyGYUMFWRBSGHHDE-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.74
Rot. Bonds4

About 6-[cyclopropyl-[(3,4-dimethylphenyl)methyl]amino]pyridine-2-carbonitrile

6-[cyclopropyl-[(3,4-dimethylphenyl)methyl]amino]pyridine-2-carbonitrile (PubChem CID 133392631) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 6-[cyclopropyl-[(3,4-dimethylphenyl)methyl]amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[cyclopropyl-[(3,4-dimethylphenyl)methyl]amino]pyridine-2-carbonitrile
PubChem CID133392631
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name6-[cyclopropyl-[(3,4-dimethylphenyl)methyl]amino]pyridine-2-carbonitrile
SMILESCc1ccc(CN(c2cccc(C#N)n2)C2CC2)cc1C
InChIInChI=1S/C18H19N3/c1-13-6-7-15(10-14(13)2)12-21(17-8-9-17)18-5-3-4-16(11-19)20-18/h3-7,10,17H,8-9,12H2,1-2H3
InChIKeyGYUMFWRBSGHHDE-UHFFFAOYSA-N
XLogP3.74
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[cyclopropyl-[(3,4-dimethylphenyl)methyl]amino]pyridine-2-carbonitrile?
The IUPAC name of 6-[cyclopropyl-[(3,4-dimethylphenyl)methyl]amino]pyridine-2-carbonitrile (CID 133392631) is 6-[cyclopropyl-[(3,4-dimethylphenyl)methyl]amino]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[cyclopropyl-[(3,4-dimethylphenyl)methyl]amino]pyridine-2-carbonitrile?
The canonical SMILES for 6-[cyclopropyl-[(3,4-dimethylphenyl)methyl]amino]pyridine-2-carbonitrile is Cc1ccc(CN(c2cccc(C#N)n2)C2CC2)cc1C.
What is the InChIKey of 6-[cyclopropyl-[(3,4-dimethylphenyl)methyl]amino]pyridine-2-carbonitrile?
The InChIKey is GYUMFWRBSGHHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-13-6-7-15(10-14(13)2)12-21(17-8-9-17)18-5-3-4-16(11-19)20-18/h3-7,10,17H,8-9,12H2,1-2H3.
What are the key properties of 6-[cyclopropyl-[(3,4-dimethylphenyl)methyl]amino]pyridine-2-carbonitrile?
6-[cyclopropyl-[(3,4-dimethylphenyl)methyl]amino]pyridine-2-carbonitrile has a molecular weight of 277.37 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclopropyl-[(3,4-dimethylphenyl)methyl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 133392631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).