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

C21H20N4O2 — CID 45371355

IUPACN-[1-oxo-3-phenyl-1-(pyridin-3-ylmethylamino)propan-2-yl]pyridine-3-carboxamide
SMILESO=C(NC(Cc1ccccc1)C(=O)NCc1cccnc1)c1cccnc1
InChIInChI=1S/C21H20N4O2/c26-20(18-9-5-11-23-15-18)25-19(12-16-6-2-1-3-7-16)21(27)24-14-17-8-4-10-22-13-17/h1-11,13,15,19H,12,14H2,(H,24,27)(H,25,26)
InChIKeyYZDJZWRGXAJAAA-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.13
Rot. Bonds7

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

N-[1-oxo-3-phenyl-1-(pyridin-3-ylmethylamino)propan-2-yl]pyridine-3-carboxamide (PubChem CID 45371355) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is N-[1-oxo-3-phenyl-1-(pyridin-3-ylmethylamino)propan-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-oxo-3-phenyl-1-(pyridin-3-ylmethylamino)propan-2-yl]pyridine-3-carboxamide
PubChem CID45371355
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC NameN-[1-oxo-3-phenyl-1-(pyridin-3-ylmethylamino)propan-2-yl]pyridine-3-carboxamide
SMILESO=C(NC(Cc1ccccc1)C(=O)NCc1cccnc1)c1cccnc1
InChIInChI=1S/C21H20N4O2/c26-20(18-9-5-11-23-15-18)25-19(12-16-6-2-1-3-7-16)21(27)24-14-17-8-4-10-22-13-17/h1-11,13,15,19H,12,14H2,(H,24,27)(H,25,26)
InChIKeyYZDJZWRGXAJAAA-UHFFFAOYSA-N
XLogP2.13
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-oxo-3-phenyl-1-(pyridin-3-ylmethylamino)propan-2-yl]benzamide
CID 2972339
N-[(2S)-1-oxo-3-phenyl-1-(pyridin-4-ylmethylamino)propan-2-yl]pyridine-3-carboxamide
CID 42534610
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-[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-benzylpyridine-3-carboxamide chloride
CID 21204170
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
N-[1-[(4-aminocyclohexyl)amino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride
CID 119474703
N-[1-(azocan-1-yl)-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide
CID 71884193
N-[1-[(4-chlorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 43010106
N-[1-oxo-3-phenyl-1-(pyridin-3-ylmethylamino)propan-2-yl]-4-propan-2-ylcyclohexane-1-carboxamide
CID 78149656

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-3-phenyl-1-(pyridin-3-ylmethylamino)propan-2-yl]pyridine-3-carboxamide?
The IUPAC name of N-[1-oxo-3-phenyl-1-(pyridin-3-ylmethylamino)propan-2-yl]pyridine-3-carboxamide (CID 45371355) is N-[1-oxo-3-phenyl-1-(pyridin-3-ylmethylamino)propan-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-oxo-3-phenyl-1-(pyridin-3-ylmethylamino)propan-2-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-oxo-3-phenyl-1-(pyridin-3-ylmethylamino)propan-2-yl]pyridine-3-carboxamide is O=C(NC(Cc1ccccc1)C(=O)NCc1cccnc1)c1cccnc1.
What is the InChIKey of N-[1-oxo-3-phenyl-1-(pyridin-3-ylmethylamino)propan-2-yl]pyridine-3-carboxamide?
The InChIKey is YZDJZWRGXAJAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c26-20(18-9-5-11-23-15-18)25-19(12-16-6-2-1-3-7-16)21(27)24-14-17-8-4-10-22-13-17/h1-11,13,15,19H,12,14H2,(H,24,27)(H,25,26).
What are the key properties of N-[1-oxo-3-phenyl-1-(pyridin-3-ylmethylamino)propan-2-yl]pyridine-3-carboxamide?
N-[1-oxo-3-phenyl-1-(pyridin-3-ylmethylamino)propan-2-yl]pyridine-3-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-3-phenyl-1-(pyridin-3-ylmethylamino)propan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 45371355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).