2-[cyclopropyl(piperidin-3-ylmethyl)amino]-6-methylpyridine-4-carbonitrile

C16H22N4 — CID 106643778

IUPAC2-[cyclopropyl(piperidin-3-ylmethyl)amino]-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(N(CC2CCCNC2)C2CC2)n1
InChIInChI=1S/C16H22N4/c1-12-7-14(9-17)8-16(19-12)20(15-4-5-15)11-13-3-2-6-18-10-13/h7-8,13,15,18H,2-6,10-11H2,1H3
InChIKeyDHZGFAXIBQPDIL-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.23
Rot. Bonds4

About 2-[cyclopropyl(piperidin-3-ylmethyl)amino]-6-methylpyridine-4-carbonitrile

2-[cyclopropyl(piperidin-3-ylmethyl)amino]-6-methylpyridine-4-carbonitrile (PubChem CID 106643778) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-[cyclopropyl(piperidin-3-ylmethyl)amino]-6-methylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[cyclopropyl(piperidin-3-ylmethyl)amino]-6-methylpyridine-4-carbonitrile
PubChem CID106643778
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name2-[cyclopropyl(piperidin-3-ylmethyl)amino]-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(N(CC2CCCNC2)C2CC2)n1
InChIInChI=1S/C16H22N4/c1-12-7-14(9-17)8-16(19-12)20(15-4-5-15)11-13-3-2-6-18-10-13/h7-8,13,15,18H,2-6,10-11H2,1H3
InChIKeyDHZGFAXIBQPDIL-UHFFFAOYSA-N
XLogP2.23
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[cyclopropyl(piperidin-3-ylmethyl)amino]-6-methylpyridine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[cyclopropyl(piperidin-3-ylmethyl)amino]-2,6-dimethylpyridine-3-carbonitrile
CID 106643759
N-cyclopropyl-2-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine
CID 106643689
2-[(4-aminocyclohexyl)-ethylamino]-6-methylpyridine-4-carbonitrile
CID 114770148
2-[cyclopropyl(prop-2-enyl)amino]-6-methylpyridine-4-carbonitrile
CID 114766517
2-[cyclopentyl(2-methylpropyl)amino]-6-methylpyridine-4-carbonitrile
CID 114766447
2-[ethyl(piperidin-4-ylmethyl)amino]-6-methylpyridine-4-carbonitrile
CID 114770166
3,5-difluoro-4-[methyl(piperidin-3-ylmethyl)amino]benzonitrile
CID 106642871
N-cyclopropyl-4-methyl-5-nitro-N-(piperidin-3-ylmethyl)pyridin-2-amine
CID 106643758
6-[cyclopropyl(piperidin-3-ylmethyl)amino]pyridazine-3-carboxamide
CID 106643858
6-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyridin-2-amine
CID 106643185
2-methyl-6-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carbonitrile
CID 106620650
N-[(3,5-dimethylphenyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106624936

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(piperidin-3-ylmethyl)amino]-6-methylpyridine-4-carbonitrile?
The IUPAC name of 2-[cyclopropyl(piperidin-3-ylmethyl)amino]-6-methylpyridine-4-carbonitrile (CID 106643778) is 2-[cyclopropyl(piperidin-3-ylmethyl)amino]-6-methylpyridine-4-carbonitrile.
What is the SMILES notation for 2-[cyclopropyl(piperidin-3-ylmethyl)amino]-6-methylpyridine-4-carbonitrile?
The canonical SMILES for 2-[cyclopropyl(piperidin-3-ylmethyl)amino]-6-methylpyridine-4-carbonitrile is Cc1cc(C#N)cc(N(CC2CCCNC2)C2CC2)n1.
What is the InChIKey of 2-[cyclopropyl(piperidin-3-ylmethyl)amino]-6-methylpyridine-4-carbonitrile?
The InChIKey is DHZGFAXIBQPDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-12-7-14(9-17)8-16(19-12)20(15-4-5-15)11-13-3-2-6-18-10-13/h7-8,13,15,18H,2-6,10-11H2,1H3.
What are the key properties of 2-[cyclopropyl(piperidin-3-ylmethyl)amino]-6-methylpyridine-4-carbonitrile?
2-[cyclopropyl(piperidin-3-ylmethyl)amino]-6-methylpyridine-4-carbonitrile has a molecular weight of 270.38 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(piperidin-3-ylmethyl)amino]-6-methylpyridine-4-carbonitrile is sourced from PubChem (CID 106643778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).