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

C17H24N4 — CID 81035702

IUPAC4-[cyclopropyl(piperidin-4-ylmethyl)amino]-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(N(CC2CCNCC2)C2CC2)c(C#N)c(C)n1
InChIInChI=1S/C17H24N4/c1-12-9-17(16(10-18)13(2)20-12)21(15-3-4-15)11-14-5-7-19-8-6-14/h9,14-15,19H,3-8,11H2,1-2H3
InChIKeyXUIKUAHPJRJTON-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.54
Rot. Bonds4

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

4-[cyclopropyl(piperidin-4-ylmethyl)amino]-2,6-dimethylpyridine-3-carbonitrile (PubChem CID 81035702) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 4-[cyclopropyl(piperidin-4-ylmethyl)amino]-2,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[cyclopropyl(piperidin-4-ylmethyl)amino]-2,6-dimethylpyridine-3-carbonitrile
PubChem CID81035702
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name4-[cyclopropyl(piperidin-4-ylmethyl)amino]-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(N(CC2CCNCC2)C2CC2)c(C#N)c(C)n1
InChIInChI=1S/C17H24N4/c1-12-9-17(16(10-18)13(2)20-12)21(15-3-4-15)11-14-5-7-19-8-6-14/h9,14-15,19H,3-8,11H2,1-2H3
InChIKeyXUIKUAHPJRJTON-UHFFFAOYSA-N
XLogP2.54
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[cyclopropyl(piperidin-3-ylmethyl)amino]-2,6-dimethylpyridine-3-carbonitrile
CID 106643759
5-[cyclopropyl(piperidin-4-ylmethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile
CID 79719216
4-[cycloheptyl(methyl)amino]-2,6-dimethylpyridine-3-carbonitrile
CID 81060620
4-[ethyl(methyl)amino]-2,6-dimethylpyridine-3-carbonitrile
CID 81060716
N-cyclopropyl-4-methyl-N-(piperidin-4-ylmethyl)-1,3-thiazol-2-amine
CID 79719436
6-methyl-2-[methyl(piperidin-4-ylmethyl)amino]pyrimidine-4-carbonitrile
CID 107552634
2-[ethyl(piperidin-4-ylmethyl)amino]-6-methylpyridine-4-carbonitrile
CID 114770166
3-[cyclopropyl(piperidin-4-ylmethyl)amino]pyrazine-2-carbonitrile
CID 79719645
2-[cyclopropyl(piperidin-3-ylmethyl)amino]-6-methylpyridine-4-carbonitrile
CID 106643778
3-bromo-5-[cyclopropyl(piperidin-4-ylmethyl)amino]benzonitrile
CID 102819169
6-methyl-2-[piperidin-4-ylmethyl(propan-2-yl)amino]pyrimidine-4-carbonitrile
CID 107552639
6-methyl-2-[piperidin-4-ylmethyl(propyl)amino]pyrimidine-4-carbonitrile
CID 107552637

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(piperidin-4-ylmethyl)amino]-2,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 4-[cyclopropyl(piperidin-4-ylmethyl)amino]-2,6-dimethylpyridine-3-carbonitrile (CID 81035702) is 4-[cyclopropyl(piperidin-4-ylmethyl)amino]-2,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 4-[cyclopropyl(piperidin-4-ylmethyl)amino]-2,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 4-[cyclopropyl(piperidin-4-ylmethyl)amino]-2,6-dimethylpyridine-3-carbonitrile is Cc1cc(N(CC2CCNCC2)C2CC2)c(C#N)c(C)n1.
What is the InChIKey of 4-[cyclopropyl(piperidin-4-ylmethyl)amino]-2,6-dimethylpyridine-3-carbonitrile?
The InChIKey is XUIKUAHPJRJTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-12-9-17(16(10-18)13(2)20-12)21(15-3-4-15)11-14-5-7-19-8-6-14/h9,14-15,19H,3-8,11H2,1-2H3.
What are the key properties of 4-[cyclopropyl(piperidin-4-ylmethyl)amino]-2,6-dimethylpyridine-3-carbonitrile?
4-[cyclopropyl(piperidin-4-ylmethyl)amino]-2,6-dimethylpyridine-3-carbonitrile has a molecular weight of 284.41 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(piperidin-4-ylmethyl)amino]-2,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 81035702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).