N-[1-oxo-3-phenyl-1-(pyridin-3-ylmethylamino)propan-2-yl]benzamide

C22H21N3O2 — CID 2972339

IUPACN-[1-oxo-3-phenyl-1-(pyridin-3-ylmethylamino)propan-2-yl]benzamide
SMILESO=C(NC(Cc1ccccc1)C(=O)NCc1cccnc1)c1ccccc1
InChIInChI=1S/C22H21N3O2/c26-21(19-11-5-2-6-12-19)25-20(14-17-8-3-1-4-9-17)22(27)24-16-18-10-7-13-23-15-18/h1-13,15,20H,14,16H2,(H,24,27)(H,25,26)
InChIKeyTUFJJMZOOJYONR-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.74
Rot. Bonds7

About N-[1-oxo-3-phenyl-1-(pyridin-3-ylmethylamino)propan-2-yl]benzamide

N-[1-oxo-3-phenyl-1-(pyridin-3-ylmethylamino)propan-2-yl]benzamide (PubChem CID 2972339) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[1-oxo-3-phenyl-1-(pyridin-3-ylmethylamino)propan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-oxo-3-phenyl-1-(pyridin-3-ylmethylamino)propan-2-yl]benzamide
PubChem CID2972339
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC NameN-[1-oxo-3-phenyl-1-(pyridin-3-ylmethylamino)propan-2-yl]benzamide
SMILESO=C(NC(Cc1ccccc1)C(=O)NCc1cccnc1)c1ccccc1
InChIInChI=1S/C22H21N3O2/c26-21(19-11-5-2-6-12-19)25-20(14-17-8-3-1-4-9-17)22(27)24-16-18-10-7-13-23-15-18/h1-13,15,20H,14,16H2,(H,24,27)(H,25,26)
InChIKeyTUFJJMZOOJYONR-UHFFFAOYSA-N
XLogP2.74
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-oxo-3-phenyl-1-(pyridin-3-ylmethylamino)propan-2-yl]pyridine-3-carboxamide
CID 45371355
N-[(2S)-1-oxo-3-phenyl-1-(pyridin-4-ylmethylamino)propan-2-yl]pyridine-3-carboxamide
CID 42534610
N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 17475548
N-[(2S)-1-oxo-3-pyridin-4-yl-1-[(6-pyridin-2-yl-3-pyridinyl)methylamino]propan-2-yl]benzamide
CID 166513917
N-[1-[(4-chlorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 43010106
N-[1-[(2-amino-2-methylpropyl)amino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride
CID 119626077
N-[1-[3-(methylamino)propylamino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride
CID 119429792
N-[(2S)-1-[(3-chlorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 7478462
N-[1-oxo-3-phenyl-1-(pyridin-3-ylmethylamino)propan-2-yl]-4-propan-2-ylcyclohexane-1-carboxamide
CID 78149656
N-[1-(azocan-1-yl)-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide
CID 71884193
N-[1-[(2-amino-1-cyclopropylethyl)amino]-1-oxo-3-pyridin-3-ylpropan-2-yl]benzamide;dihydrochloride
CID 119613276
N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-pyridin-3-yloxybenzamide
CID 49083866

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-3-phenyl-1-(pyridin-3-ylmethylamino)propan-2-yl]benzamide?
The IUPAC name of N-[1-oxo-3-phenyl-1-(pyridin-3-ylmethylamino)propan-2-yl]benzamide (CID 2972339) is N-[1-oxo-3-phenyl-1-(pyridin-3-ylmethylamino)propan-2-yl]benzamide.
What is the SMILES notation for N-[1-oxo-3-phenyl-1-(pyridin-3-ylmethylamino)propan-2-yl]benzamide?
The canonical SMILES for N-[1-oxo-3-phenyl-1-(pyridin-3-ylmethylamino)propan-2-yl]benzamide is O=C(NC(Cc1ccccc1)C(=O)NCc1cccnc1)c1ccccc1.
What is the InChIKey of N-[1-oxo-3-phenyl-1-(pyridin-3-ylmethylamino)propan-2-yl]benzamide?
The InChIKey is TUFJJMZOOJYONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c26-21(19-11-5-2-6-12-19)25-20(14-17-8-3-1-4-9-17)22(27)24-16-18-10-7-13-23-15-18/h1-13,15,20H,14,16H2,(H,24,27)(H,25,26).
What are the key properties of N-[1-oxo-3-phenyl-1-(pyridin-3-ylmethylamino)propan-2-yl]benzamide?
N-[1-oxo-3-phenyl-1-(pyridin-3-ylmethylamino)propan-2-yl]benzamide has a molecular weight of 359.43 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-3-phenyl-1-(pyridin-3-ylmethylamino)propan-2-yl]benzamide is sourced from PubChem (CID 2972339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).