N-[3-oxo-1-phenyl-3-(pyridin-2-ylamino)propyl]benzamide

C21H19N3O2 — CID 134014968

IUPACN-[3-oxo-1-phenyl-3-(pyridin-2-ylamino)propyl]benzamide
SMILESO=C(CC(NC(=O)c1ccccc1)c1ccccc1)Nc1ccccn1
InChIInChI=1S/C21H19N3O2/c25-20(24-19-13-7-8-14-22-19)15-18(16-9-3-1-4-10-16)23-21(26)17-11-5-2-6-12-17/h1-14,18H,15H2,(H,23,26)(H,22,24,25)
InChIKeyHTFKZCCYRQUZOU-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.58
Rot. Bonds6

About N-[3-oxo-1-phenyl-3-(pyridin-2-ylamino)propyl]benzamide

N-[3-oxo-1-phenyl-3-(pyridin-2-ylamino)propyl]benzamide (PubChem CID 134014968) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[3-oxo-1-phenyl-3-(pyridin-2-ylamino)propyl]benzamide.

Molecular Properties

Compound NameN-[3-oxo-1-phenyl-3-(pyridin-2-ylamino)propyl]benzamide
PubChem CID134014968
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC NameN-[3-oxo-1-phenyl-3-(pyridin-2-ylamino)propyl]benzamide
SMILESO=C(CC(NC(=O)c1ccccc1)c1ccccc1)Nc1ccccn1
InChIInChI=1S/C21H19N3O2/c25-20(24-19-13-7-8-14-22-19)15-18(16-9-3-1-4-10-16)23-21(26)17-11-5-2-6-12-17/h1-14,18H,15H2,(H,23,26)(H,22,24,25)
InChIKeyHTFKZCCYRQUZOU-UHFFFAOYSA-N
XLogP3.58
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[(1S)-3-oxo-1-phenyl-3-(pyridin-2-ylamino)propyl]benzamide
CID 25332382
3-benzamido-3-phenylpropanoic acid
CID 2834576
(3S)-3-benzamido-3-phenylpropanoic acid
CID 788098
N-[(1R)-3-[(1-methylpyrazol-3-yl)amino]-3-oxo-1-phenylpropyl]benzamide
CID 31844726
N-[3-oxo-1-phenyl-3-[3-(pyridin-2-ylmethoxy)anilino]propyl]benzamide
CID 46460902
N-[(1R)-3-(2-methylanilino)-3-oxo-1-phenylpropyl]benzamide
CID 7946567
N-[(1S)-3-(4-methylanilino)-3-oxo-1-phenylpropyl]benzamide
CID 7899822
N-[(1S)-3-(2,6-dimethylanilino)-3-oxo-1-phenylpropyl]benzamide
CID 51870095
4-[(3-benzamido-3-phenylpropanoyl)amino]-N-methylbenzamide
CID 55333107
N-[3-[4-(carbamoylamino)anilino]-3-oxo-1-phenylpropyl]benzamide
CID 55527938
N-[(1S)-3-(ethylamino)-3-oxo-1-phenylpropyl]benzamide
CID 94041793
N-[(1R)-3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxo-1-phenylpropyl]benzamide
CID 2113874

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-1-phenyl-3-(pyridin-2-ylamino)propyl]benzamide?
The IUPAC name of N-[3-oxo-1-phenyl-3-(pyridin-2-ylamino)propyl]benzamide (CID 134014968) is N-[3-oxo-1-phenyl-3-(pyridin-2-ylamino)propyl]benzamide.
What is the SMILES notation for N-[3-oxo-1-phenyl-3-(pyridin-2-ylamino)propyl]benzamide?
The canonical SMILES for N-[3-oxo-1-phenyl-3-(pyridin-2-ylamino)propyl]benzamide is O=C(CC(NC(=O)c1ccccc1)c1ccccc1)Nc1ccccn1.
What is the InChIKey of N-[3-oxo-1-phenyl-3-(pyridin-2-ylamino)propyl]benzamide?
The InChIKey is HTFKZCCYRQUZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c25-20(24-19-13-7-8-14-22-19)15-18(16-9-3-1-4-10-16)23-21(26)17-11-5-2-6-12-17/h1-14,18H,15H2,(H,23,26)(H,22,24,25).
What are the key properties of N-[3-oxo-1-phenyl-3-(pyridin-2-ylamino)propyl]benzamide?
N-[3-oxo-1-phenyl-3-(pyridin-2-ylamino)propyl]benzamide has a molecular weight of 345.40 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-1-phenyl-3-(pyridin-2-ylamino)propyl]benzamide is sourced from PubChem (CID 134014968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).