N-(3,3-diphenylpropyl)pyridine-3-carboxamide

C21H20N2O — CID 3530525

IUPACN-(3,3-diphenylpropyl)pyridine-3-carboxamide
SMILESO=C(NCCC(c1ccccc1)c1ccccc1)c1cccnc1
InChIInChI=1S/C21H20N2O/c24-21(19-12-7-14-22-16-19)23-15-13-20(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-12,14,16,20H,13,15H2,(H,23,24)
InChIKeyGDHXZIQAOUBZCC-UHFFFAOYSA-N
MW316.40 g/mol
LogP4.03
Rot. Bonds6

About N-(3,3-diphenylpropyl)pyridine-3-carboxamide

N-(3,3-diphenylpropyl)pyridine-3-carboxamide (PubChem CID 3530525) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)pyridine-3-carboxamide
PubChem CID3530525
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC NameN-(3,3-diphenylpropyl)pyridine-3-carboxamide
SMILESO=C(NCCC(c1ccccc1)c1ccccc1)c1cccnc1
InChIInChI=1S/C21H20N2O/c24-21(19-12-7-14-22-16-19)23-15-13-20(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-12,14,16,20H,13,15H2,(H,23,24)
InChIKeyGDHXZIQAOUBZCC-UHFFFAOYSA-N
XLogP4.03
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Boscalid
CID 213013
Nialamide
CID 4472
N'-Methylnicotinamide
CID 64950
N,N-Diethylnicotinamide
CID 5497
Daporinad
CID 6914657
Niaprazine
CID 71919
Phenyl-3-pyridinylmethanone
CID 21540
Nicaraven
CID 71234
Enisamium Iodide
CID 10089466
3,5-Dimethyl-N-(4-pyridinylmethyl)benzamide
CID 40146
N-Ethylnicotinamide
CID 78007
Nicotinanilide
CID 74463

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)pyridine-3-carboxamide?
The IUPAC name of N-(3,3-diphenylpropyl)pyridine-3-carboxamide (CID 3530525) is N-(3,3-diphenylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(3,3-diphenylpropyl)pyridine-3-carboxamide?
The canonical SMILES for N-(3,3-diphenylpropyl)pyridine-3-carboxamide is O=C(NCCC(c1ccccc1)c1ccccc1)c1cccnc1.
What is the InChIKey of N-(3,3-diphenylpropyl)pyridine-3-carboxamide?
The InChIKey is GDHXZIQAOUBZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O/c24-21(19-12-7-14-22-16-19)23-15-13-20(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-12,14,16,20H,13,15H2,(H,23,24).
What are the key properties of N-(3,3-diphenylpropyl)pyridine-3-carboxamide?
N-(3,3-diphenylpropyl)pyridine-3-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 3530525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).