N-[(2S)-1-oxo-3-phenyl-1-(pyridin-4-ylmethylamino)propan-2-yl]pyridine-3-carboxamide

C21H20N4O2 — CID 42534610

IUPACN-[(2S)-1-oxo-3-phenyl-1-(pyridin-4-ylmethylamino)propan-2-yl]pyridine-3-carboxamide
SMILESO=C(N[C@@H](Cc1ccccc1)C(=O)NCc1ccncc1)c1cccnc1
InChIInChI=1S/C21H20N4O2/c26-20(18-7-4-10-23-15-18)25-19(13-16-5-2-1-3-6-16)21(27)24-14-17-8-11-22-12-9-17/h1-12,15,19H,13-14H2,(H,24,27)(H,25,26)/t19-/m0/s1
InChIKeyRTXUXSOHNKOXIC-IBGZPJMESA-N
MW360.42 g/mol
LogP2.13
Rot. Bonds7

About N-[(2S)-1-oxo-3-phenyl-1-(pyridin-4-ylmethylamino)propan-2-yl]pyridine-3-carboxamide

N-[(2S)-1-oxo-3-phenyl-1-(pyridin-4-ylmethylamino)propan-2-yl]pyridine-3-carboxamide (PubChem CID 42534610) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is N-[(2S)-1-oxo-3-phenyl-1-(pyridin-4-ylmethylamino)propan-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-oxo-3-phenyl-1-(pyridin-4-ylmethylamino)propan-2-yl]pyridine-3-carboxamide
PubChem CID42534610
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC NameN-[(2S)-1-oxo-3-phenyl-1-(pyridin-4-ylmethylamino)propan-2-yl]pyridine-3-carboxamide
SMILESO=C(N[C@@H](Cc1ccccc1)C(=O)NCc1ccncc1)c1cccnc1
InChIInChI=1S/C21H20N4O2/c26-20(18-7-4-10-23-15-18)25-19(13-16-5-2-1-3-6-16)21(27)24-14-17-8-11-22-12-9-17/h1-12,15,19H,13-14H2,(H,24,27)(H,25,26)/t19-/m0/s1
InChIKeyRTXUXSOHNKOXIC-IBGZPJMESA-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]pyridine-3-carboxamide
CID 45371355
N-[1-oxo-3-phenyl-1-(pyridin-3-ylmethylamino)propan-2-yl]benzamide
CID 2972339
N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 17475548
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-oxo-3-pyridin-4-yl-1-[(6-pyridin-2-yl-3-pyridinyl)methylamino]propan-2-yl]benzamide
CID 166513917
(2R)-2-[(2,2-diphenylacetyl)amino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 2666614
N-benzylpyridine-3-carboxamide chloride
CID 21204170
N-[1-[(4-chlorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 43010106
2-benzamido-3-pyridin-4-ylpropanoic acid
CID 19602413
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

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-oxo-3-phenyl-1-(pyridin-4-ylmethylamino)propan-2-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(2S)-1-oxo-3-phenyl-1-(pyridin-4-ylmethylamino)propan-2-yl]pyridine-3-carboxamide (CID 42534610) is N-[(2S)-1-oxo-3-phenyl-1-(pyridin-4-ylmethylamino)propan-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-oxo-3-phenyl-1-(pyridin-4-ylmethylamino)propan-2-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(2S)-1-oxo-3-phenyl-1-(pyridin-4-ylmethylamino)propan-2-yl]pyridine-3-carboxamide is O=C(N[C@@H](Cc1ccccc1)C(=O)NCc1ccncc1)c1cccnc1.
What is the InChIKey of N-[(2S)-1-oxo-3-phenyl-1-(pyridin-4-ylmethylamino)propan-2-yl]pyridine-3-carboxamide?
The InChIKey is RTXUXSOHNKOXIC-IBGZPJMESA-N. The full InChI is InChI=1S/C21H20N4O2/c26-20(18-7-4-10-23-15-18)25-19(13-16-5-2-1-3-6-16)21(27)24-14-17-8-11-22-12-9-17/h1-12,15,19H,13-14H2,(H,24,27)(H,25,26)/t19-/m0/s1.
What are the key properties of N-[(2S)-1-oxo-3-phenyl-1-(pyridin-4-ylmethylamino)propan-2-yl]pyridine-3-carboxamide?
N-[(2S)-1-oxo-3-phenyl-1-(pyridin-4-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-[(2S)-1-oxo-3-phenyl-1-(pyridin-4-ylmethylamino)propan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 42534610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).