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

C19H20N4O — CID 109196414

IUPAC3-[[6-(3-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]benzonitrile
SMILESCC1CCCN(C(=O)c2ccc(Nc3cccc(C#N)c3)cn2)C1
InChIInChI=1S/C19H20N4O/c1-14-4-3-9-23(13-14)19(24)18-8-7-17(12-21-18)22-16-6-2-5-15(10-16)11-20/h2,5-8,10,12,14,22H,3-4,9,13H2,1H3
InChIKeyGVTQPLSQACRXQO-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.57
Rot. Bonds3

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

3-[[6-(3-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]benzonitrile (PubChem CID 109196414) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 3-[[6-(3-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]benzonitrile.

Molecular Properties

Compound Name3-[[6-(3-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]benzonitrile
PubChem CID109196414
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name3-[[6-(3-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]benzonitrile
SMILESCC1CCCN(C(=O)c2ccc(Nc3cccc(C#N)c3)cn2)C1
InChIInChI=1S/C19H20N4O/c1-14-4-3-9-23(13-14)19(24)18-8-7-17(12-21-18)22-16-6-2-5-15(10-16)11-20/h2,5-8,10,12,14,22H,3-4,9,13H2,1H3
InChIKeyGVTQPLSQACRXQO-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

3-[[6-(azepane-1-carbonyl)-3-pyridinyl]amino]benzonitrile
CID 109196849
[5-(4-fluoroanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109196342
[5-(2,6-difluoroanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109196418
(3-methylpiperidin-1-yl)-[5-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]methanone
CID 109196383
(3-methylpiperidin-1-yl)-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]methanone
CID 109196398
[5-(2-ethylanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109196331
N-(3-cyanophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108952404
[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109196351
1-[3-[[6-(4-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]phenyl]ethanone
CID 109183366
5-(3-cyanoanilino)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide
CID 109198246
azepan-1-yl-[5-(3-methoxyanilino)-2-pyridinyl]methanone
CID 109196797
5-(3-cyanoanilino)-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109197351

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(3-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]benzonitrile?
The IUPAC name of 3-[[6-(3-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]benzonitrile (CID 109196414) is 3-[[6-(3-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]benzonitrile.
What is the SMILES notation for 3-[[6-(3-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]benzonitrile?
The canonical SMILES for 3-[[6-(3-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]benzonitrile is CC1CCCN(C(=O)c2ccc(Nc3cccc(C#N)c3)cn2)C1.
What is the InChIKey of 3-[[6-(3-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]benzonitrile?
The InChIKey is GVTQPLSQACRXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-14-4-3-9-23(13-14)19(24)18-8-7-17(12-21-18)22-16-6-2-5-15(10-16)11-20/h2,5-8,10,12,14,22H,3-4,9,13H2,1H3.
What are the key properties of 3-[[6-(3-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]benzonitrile?
3-[[6-(3-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 3-[[6-(3-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]benzonitrile is sourced from PubChem (CID 109196414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).