4,4-diphenyl-N-pyridin-3-ylbutanamide

C21H20N2O — CID 11976417

IUPAC4,4-diphenyl-N-pyridin-3-ylbutanamide
SMILESO=C(CCC(c1ccccc1)c1ccccc1)Nc1cccnc1
InChIInChI=1S/C21H20N2O/c24-21(23-19-12-7-15-22-16-19)14-13-20(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-12,15-16,20H,13-14H2,(H,23,24)
InChIKeyCEQRPUYSSDGEML-UHFFFAOYSA-N
MW316.40 g/mol
LogP4.63
Rot. Bonds6

About 4,4-diphenyl-N-pyridin-3-ylbutanamide

4,4-diphenyl-N-pyridin-3-ylbutanamide (PubChem CID 11976417) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is 4,4-diphenyl-N-pyridin-3-ylbutanamide.

Molecular Properties

Compound Name4,4-diphenyl-N-pyridin-3-ylbutanamide
PubChem CID11976417
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC Name4,4-diphenyl-N-pyridin-3-ylbutanamide
SMILESO=C(CCC(c1ccccc1)c1ccccc1)Nc1cccnc1
InChIInChI=1S/C21H20N2O/c24-21(23-19-12-7-15-22-16-19)14-13-20(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-12,15-16,20H,13-14H2,(H,23,24)
InChIKeyCEQRPUYSSDGEML-UHFFFAOYSA-N
XLogP4.63
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 ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-4-oxo-2-phenyl-4-(pyridin-3-ylamino)butanoic acid
CID 851940
(2S)-2-hydroxy-2-phenyl-N-pyridin-3-ylacetamide
CID 118541599
(3R)-3-methyl-5-oxo-5-(pyridin-3-ylamino)pentanoic acid
CID 7316708
N-(2-phenylethyl)-N'-pyridin-3-ylbutanediamide
CID 51362474
N'-[(2R)-heptan-2-yl]-N-pyridin-3-ylbutanediamide
CID 40595898
1-benzhydryl-3-pyridin-3-ylurea
CID 108864958
2-[4-[2-oxo-2-(pyridin-3-ylamino)ethyl]phenyl]-N-pyridin-3-ylacetamide
CID 177434462
3-pyridin-2-yl-N-pyridin-3-ylpropanamide
CID 47468155
4-amino-4-phenyl-N-pyrimidin-5-ylbutanamide
CID 107588622
N-[4-oxo-4-(pyridin-3-ylamino)butyl]benzamide
CID 39761141
3-acetamido-N-pyridin-3-ylpropanamide
CID 91801519
3-methyl-N-pyridin-3-ylpentanamide
CID 142960765

Frequently Asked Questions

What is the IUPAC name of 4,4-diphenyl-N-pyridin-3-ylbutanamide?
The IUPAC name of 4,4-diphenyl-N-pyridin-3-ylbutanamide (CID 11976417) is 4,4-diphenyl-N-pyridin-3-ylbutanamide.
What is the SMILES notation for 4,4-diphenyl-N-pyridin-3-ylbutanamide?
The canonical SMILES for 4,4-diphenyl-N-pyridin-3-ylbutanamide is O=C(CCC(c1ccccc1)c1ccccc1)Nc1cccnc1.
What is the InChIKey of 4,4-diphenyl-N-pyridin-3-ylbutanamide?
The InChIKey is CEQRPUYSSDGEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O/c24-21(23-19-12-7-15-22-16-19)14-13-20(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-12,15-16,20H,13-14H2,(H,23,24).
What are the key properties of 4,4-diphenyl-N-pyridin-3-ylbutanamide?
4,4-diphenyl-N-pyridin-3-ylbutanamide has a molecular weight of 316.40 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diphenyl-N-pyridin-3-ylbutanamide is sourced from PubChem (CID 11976417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).