3-cyano-N-methyl-N-(1-pyridin-2-ylpiperidin-4-yl)benzamide

C19H20N4O — CID 47091375

IUPAC3-cyano-N-methyl-N-(1-pyridin-2-ylpiperidin-4-yl)benzamide
SMILESCN(C(=O)c1cccc(C#N)c1)C1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H20N4O/c1-22(19(24)16-6-4-5-15(13-16)14-20)17-8-11-23(12-9-17)18-7-2-3-10-21-18/h2-7,10,13,17H,8-9,11-12H2,1H3
InChIKeyLSEIGNGDXBQPDM-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.69
Rot. Bonds3

About 3-cyano-N-methyl-N-(1-pyridin-2-ylpiperidin-4-yl)benzamide

3-cyano-N-methyl-N-(1-pyridin-2-ylpiperidin-4-yl)benzamide (PubChem CID 47091375) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 3-cyano-N-methyl-N-(1-pyridin-2-ylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name3-cyano-N-methyl-N-(1-pyridin-2-ylpiperidin-4-yl)benzamide
PubChem CID47091375
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name3-cyano-N-methyl-N-(1-pyridin-2-ylpiperidin-4-yl)benzamide
SMILESCN(C(=O)c1cccc(C#N)c1)C1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H20N4O/c1-22(19(24)16-6-4-5-15(13-16)14-20)17-8-11-23(12-9-17)18-7-2-3-10-21-18/h2-7,10,13,17H,8-9,11-12H2,1H3
InChIKeyLSEIGNGDXBQPDM-UHFFFAOYSA-N
XLogP2.69
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyano-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 24706025
4-ethyl-N-methyl-N-(1-pyridin-2-ylpiperidin-4-yl)benzamide
CID 47091378
N-(4-aminocyclohexyl)-3-cyano-N-methylbenzamide
CID 79121217
3-cyano-N-cyclopropyl-N-pyridin-2-ylbenzamide
CID 110723084
3-cyano-N-(1-imidazo[1,2-b]pyridazin-6-ylazetidin-3-yl)-N-methylbenzamide
CID 172882805
N-methyl-N-(1-methylpiperidin-4-yl)-3-pyridin-2-yloxybenzamide
CID 90596724
3-cyano-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 122300042
3-cyano-N-[(2S)-3-methyl-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)butan-2-yl]benzamide
CID 95100216
N-(3-cyanophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide
CID 109174626
N-cyclohexyl-N-methyl-2-pyrrolidin-1-ylpyridine-4-carboxamide
CID 84574966
(2R)-2-imidazol-1-yl-N-methyl-N-(1-pyridin-2-ylpiperidin-4-yl)propanamide
CID 95595640
3-(1,1-dioxothiazinan-2-yl)-N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]benzamide
CID 124994479

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-methyl-N-(1-pyridin-2-ylpiperidin-4-yl)benzamide?
The IUPAC name of 3-cyano-N-methyl-N-(1-pyridin-2-ylpiperidin-4-yl)benzamide (CID 47091375) is 3-cyano-N-methyl-N-(1-pyridin-2-ylpiperidin-4-yl)benzamide.
What is the SMILES notation for 3-cyano-N-methyl-N-(1-pyridin-2-ylpiperidin-4-yl)benzamide?
The canonical SMILES for 3-cyano-N-methyl-N-(1-pyridin-2-ylpiperidin-4-yl)benzamide is CN(C(=O)c1cccc(C#N)c1)C1CCN(c2ccccn2)CC1.
What is the InChIKey of 3-cyano-N-methyl-N-(1-pyridin-2-ylpiperidin-4-yl)benzamide?
The InChIKey is LSEIGNGDXBQPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-22(19(24)16-6-4-5-15(13-16)14-20)17-8-11-23(12-9-17)18-7-2-3-10-21-18/h2-7,10,13,17H,8-9,11-12H2,1H3.
What are the key properties of 3-cyano-N-methyl-N-(1-pyridin-2-ylpiperidin-4-yl)benzamide?
3-cyano-N-methyl-N-(1-pyridin-2-ylpiperidin-4-yl)benzamide has a molecular weight of 320.40 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-methyl-N-(1-pyridin-2-ylpiperidin-4-yl)benzamide is sourced from PubChem (CID 47091375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).