3-[(5-methyl-2-pyridinyl)amino]-1,3-diphenylpropan-1-one

C21H20N2O — CID 14936528

IUPAC3-[(5-methyl-2-pyridinyl)amino]-1,3-diphenylpropan-1-one
SMILESCc1ccc(NC(CC(=O)c2ccccc2)c2ccccc2)nc1
InChIInChI=1S/C21H20N2O/c1-16-12-13-21(22-15-16)23-19(17-8-4-2-5-9-17)14-20(24)18-10-6-3-7-11-18/h2-13,15,19H,14H2,1H3,(H,22,23)
InChIKeyPDOIPVKUHGPVQP-UHFFFAOYSA-N
MW316.40 g/mol
LogP4.82
Rot. Bonds6

About 3-[(5-methyl-2-pyridinyl)amino]-1,3-diphenylpropan-1-one

3-[(5-methyl-2-pyridinyl)amino]-1,3-diphenylpropan-1-one (PubChem CID 14936528) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is 3-[(5-methyl-2-pyridinyl)amino]-1,3-diphenylpropan-1-one.

Molecular Properties

Compound Name3-[(5-methyl-2-pyridinyl)amino]-1,3-diphenylpropan-1-one
PubChem CID14936528
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC Name3-[(5-methyl-2-pyridinyl)amino]-1,3-diphenylpropan-1-one
SMILESCc1ccc(NC(CC(=O)c2ccccc2)c2ccccc2)nc1
InChIInChI=1S/C21H20N2O/c1-16-12-13-21(22-15-16)23-19(17-8-4-2-5-9-17)14-20(24)18-10-6-3-7-11-18/h2-13,15,19H,14H2,1H3,(H,22,23)
InChIKeyPDOIPVKUHGPVQP-UHFFFAOYSA-N
XLogP4.82
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methylanilino)-1,3-diphenylpropan-1-one;hydrochloride
CID 2933530
(3R)-3-(3-methylanilino)-1,3-diphenylpropan-1-one
CID 122397451
N-(5-methyl-2-pyridinyl)-4-oxo-4-phenylbutanamide
CID 35022311
N-benzhydryl-5-methylpyridin-2-amine
CID 43344292
(3R)-3-(4-fluorophenyl)-3-(4-methylanilino)-1-phenylpropan-1-one
CID 766742
3-(4-fluoroanilino)-3-(4-methylphenyl)-1-phenylpropan-1-one
CID 132592034
(3R)-3-(4-fluoroanilino)-1-(4-methylphenyl)-3-phenylpropan-1-one
CID 971422
(3R)-1-(4-fluorophenyl)-3-(4-methylanilino)-3-phenylpropan-1-one
CID 51695922
(3S)-3-(2,3-dimethylanilino)-1,3-diphenylpropan-1-one
CID 7034965
3-(2,3-dimethylanilino)-1,3-diphenylpropan-1-one
CID 3958649
3-(4-ethoxyphenyl)-3-(4-methylanilino)-1-phenylpropan-1-one
CID 132592048
3-(methoxyamino)-1-(4-methylphenyl)-3-phenylpropan-1-one
CID 13442249

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-2-pyridinyl)amino]-1,3-diphenylpropan-1-one?
The IUPAC name of 3-[(5-methyl-2-pyridinyl)amino]-1,3-diphenylpropan-1-one (CID 14936528) is 3-[(5-methyl-2-pyridinyl)amino]-1,3-diphenylpropan-1-one.
What is the SMILES notation for 3-[(5-methyl-2-pyridinyl)amino]-1,3-diphenylpropan-1-one?
The canonical SMILES for 3-[(5-methyl-2-pyridinyl)amino]-1,3-diphenylpropan-1-one is Cc1ccc(NC(CC(=O)c2ccccc2)c2ccccc2)nc1.
What is the InChIKey of 3-[(5-methyl-2-pyridinyl)amino]-1,3-diphenylpropan-1-one?
The InChIKey is PDOIPVKUHGPVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O/c1-16-12-13-21(22-15-16)23-19(17-8-4-2-5-9-17)14-20(24)18-10-6-3-7-11-18/h2-13,15,19H,14H2,1H3,(H,22,23).
What are the key properties of 3-[(5-methyl-2-pyridinyl)amino]-1,3-diphenylpropan-1-one?
3-[(5-methyl-2-pyridinyl)amino]-1,3-diphenylpropan-1-one has a molecular weight of 316.40 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-2-pyridinyl)amino]-1,3-diphenylpropan-1-one is sourced from PubChem (CID 14936528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).