2-[[6-(4-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]benzonitrile

C19H20N4O — CID 109183409

IUPAC2-[[6-(4-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]benzonitrile
SMILESCC1CCN(C(=O)c2ccc(Nc3ccccc3C#N)cn2)CC1
InChIInChI=1S/C19H20N4O/c1-14-8-10-23(11-9-14)19(24)18-7-6-16(13-21-18)22-17-5-3-2-4-15(17)12-20/h2-7,13-14,22H,8-11H2,1H3
InChIKeyLHLMTHRFCLWANJ-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.57
Rot. Bonds3

About 2-[[6-(4-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]benzonitrile

2-[[6-(4-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]benzonitrile (PubChem CID 109183409) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-[[6-(4-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]benzonitrile.

Molecular Properties

Compound Name2-[[6-(4-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]benzonitrile
PubChem CID109183409
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name2-[[6-(4-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]benzonitrile
SMILESCC1CCN(C(=O)c2ccc(Nc3ccccc3C#N)cn2)CC1
InChIInChI=1S/C19H20N4O/c1-14-8-10-23(11-9-14)19(24)18-7-6-16(13-21-18)22-17-5-3-2-4-15(17)12-20/h2-7,13-14,22H,8-11H2,1H3
InChIKeyLHLMTHRFCLWANJ-UHFFFAOYSA-N
XLogP3.57
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(2-ethylanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109183327
(4-methylpiperidin-1-yl)-[5-(2-propan-2-yloxyanilino)-2-pyridinyl]methanone
CID 109183358
ethyl 4-[[5-(2-cyanoanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109194079
1-[3-[[6-(4-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]phenyl]ethanone
CID 109183366
[5-(2,5-dichloroanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109183401
methyl 4-chloro-3-[[6-(4-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]benzoate
CID 109183373
N-tert-butyl-5-(2-cyanoanilino)pyridine-2-carboxamide
CID 109195159
[5-(methylamino)-2-pyridinyl]-(4-methylazepan-1-yl)methanone
CID 113436179
[5-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109183416
[5-(2-ethylanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109196331
5-(2-cyanoanilino)-N-propylpyridine-2-carboxamide
CID 109179228
[5-(2-chloroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109181885

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(4-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]benzonitrile?
The IUPAC name of 2-[[6-(4-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]benzonitrile (CID 109183409) is 2-[[6-(4-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]benzonitrile.
What is the SMILES notation for 2-[[6-(4-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]benzonitrile?
The canonical SMILES for 2-[[6-(4-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]benzonitrile is CC1CCN(C(=O)c2ccc(Nc3ccccc3C#N)cn2)CC1.
What is the InChIKey of 2-[[6-(4-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]benzonitrile?
The InChIKey is LHLMTHRFCLWANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-14-8-10-23(11-9-14)19(24)18-7-6-16(13-21-18)22-17-5-3-2-4-15(17)12-20/h2-7,13-14,22H,8-11H2,1H3.
What are the key properties of 2-[[6-(4-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]benzonitrile?
2-[[6-(4-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]benzonitrile has a molecular weight of 320.40 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(4-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]benzonitrile is sourced from PubChem (CID 109183409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).