6-[4-[(2-methylphenyl)methylamino]piperidin-1-yl]pyridine-3-carbonitrile

C19H22N4 — CID 119110757

IUPAC6-[4-[(2-methylphenyl)methylamino]piperidin-1-yl]pyridine-3-carbonitrile
SMILESCc1ccccc1CNC1CCN(c2ccc(C#N)cn2)CC1
InChIInChI=1S/C19H22N4/c1-15-4-2-3-5-17(15)14-21-18-8-10-23(11-9-18)19-7-6-16(12-20)13-22-19/h2-7,13,18,21H,8-11,14H2,1H3
InChIKeyBALOCAVSNVKMEV-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.02
Rot. Bonds4

About 6-[4-[(2-methylphenyl)methylamino]piperidin-1-yl]pyridine-3-carbonitrile

6-[4-[(2-methylphenyl)methylamino]piperidin-1-yl]pyridine-3-carbonitrile (PubChem CID 119110757) has the molecular formula C19H22N4 and a molecular weight of 306.41 g/mol. Its IUPAC name is 6-[4-[(2-methylphenyl)methylamino]piperidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-[(2-methylphenyl)methylamino]piperidin-1-yl]pyridine-3-carbonitrile
PubChem CID119110757
Molecular FormulaC19H22N4
Molecular Weight306.41 g/mol
Exact Mass306.18
IUPAC Name6-[4-[(2-methylphenyl)methylamino]piperidin-1-yl]pyridine-3-carbonitrile
SMILESCc1ccccc1CNC1CCN(c2ccc(C#N)cn2)CC1
InChIInChI=1S/C19H22N4/c1-15-4-2-3-5-17(15)14-21-18-8-10-23(11-9-18)19-7-6-16(12-20)13-22-19/h2-7,13,18,21H,8-11,14H2,1H3
InChIKeyBALOCAVSNVKMEV-UHFFFAOYSA-N
XLogP3.02
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-[(2-chlorophenyl)methylamino]piperidin-1-yl]pyridine-3-carbonitrile
CID 119110752
6-[4-[(4-fluoro-3-methylphenyl)methylamino]piperidin-1-yl]pyridine-3-carbonitrile
CID 119122036
6-[4-[(3-methylimidazol-4-yl)methylamino]piperidin-1-yl]pyridine-3-carbonitrile
CID 119110743
6-[4-[2-(3-phenylpyrrolidin-1-yl)ethylamino]piperidin-1-yl]pyridine-3-carbonitrile
CID 72920107
1-(5-cyano-2-pyridinyl)-N-(2-methylphenyl)piperidine-4-carboxamide
CID 17443908
6-[4-(quinolin-2-ylamino)piperidin-1-yl]pyridine-3-carbonitrile
CID 133286840
6-[4-[(3,6-dimethylpyrazin-2-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
CID 133469882
6-[4-[2-(1-phenylpyrazol-4-yl)ethylamino]piperidin-1-yl]pyridine-3-carbonitrile
CID 72920155
6-[4-(3-indazol-1-ylpropylamino)piperidin-1-yl]pyridine-3-carbonitrile
CID 72903650
6-(4-propan-2-ylpiperidin-1-yl)pyridine-3-carbonitrile
CID 58431342
6-[4-(dimethylamino)piperidin-1-yl]pyridine-3-carbonitrile
CID 43430337
1-(5-cyano-2-pyridinyl)-N-[2,2-difluoro-2-(2-methylphenyl)ethyl]piperidine-4-carboxamide
CID 155952974

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(2-methylphenyl)methylamino]piperidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-[(2-methylphenyl)methylamino]piperidin-1-yl]pyridine-3-carbonitrile (CID 119110757) is 6-[4-[(2-methylphenyl)methylamino]piperidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-[(2-methylphenyl)methylamino]piperidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-[(2-methylphenyl)methylamino]piperidin-1-yl]pyridine-3-carbonitrile is Cc1ccccc1CNC1CCN(c2ccc(C#N)cn2)CC1.
What is the InChIKey of 6-[4-[(2-methylphenyl)methylamino]piperidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is BALOCAVSNVKMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4/c1-15-4-2-3-5-17(15)14-21-18-8-10-23(11-9-18)19-7-6-16(12-20)13-22-19/h2-7,13,18,21H,8-11,14H2,1H3.
What are the key properties of 6-[4-[(2-methylphenyl)methylamino]piperidin-1-yl]pyridine-3-carbonitrile?
6-[4-[(2-methylphenyl)methylamino]piperidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 306.41 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(2-methylphenyl)methylamino]piperidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 119110757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).