[(2R)-1-oxo-3-phenyl-1-[(5-pyridin-4-yl-2-pyridinyl)amino]propan-2-yl]carbamic acid

C20H18N4O3 — CID 141165087

IUPAC[(2R)-1-oxo-3-phenyl-1-[(5-pyridin-4-yl-2-pyridinyl)amino]propan-2-yl]carbamic acid
SMILESO=C(O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(-c2ccncc2)cn1
InChIInChI=1S/C20H18N4O3/c25-19(17(23-20(26)27)12-14-4-2-1-3-5-14)24-18-7-6-16(13-22-18)15-8-10-21-11-9-15/h1-11,13,17,23H,12H2,(H,26,27)(H,22,24,25)/t17-/m1/s1
InChIKeyMUEIDANKWHXUNL-QGZVFWFLSA-N
MW362.39 g/mol
LogP2.96
Rot. Bonds6

About [(2R)-1-oxo-3-phenyl-1-[(5-pyridin-4-yl-2-pyridinyl)amino]propan-2-yl]carbamic acid

[(2R)-1-oxo-3-phenyl-1-[(5-pyridin-4-yl-2-pyridinyl)amino]propan-2-yl]carbamic acid (PubChem CID 141165087) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is [(2R)-1-oxo-3-phenyl-1-[(5-pyridin-4-yl-2-pyridinyl)amino]propan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2R)-1-oxo-3-phenyl-1-[(5-pyridin-4-yl-2-pyridinyl)amino]propan-2-yl]carbamic acid
PubChem CID141165087
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC Name[(2R)-1-oxo-3-phenyl-1-[(5-pyridin-4-yl-2-pyridinyl)amino]propan-2-yl]carbamic acid
SMILESO=C(O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(-c2ccncc2)cn1
InChIInChI=1S/C20H18N4O3/c25-19(17(23-20(26)27)12-14-4-2-1-3-5-14)24-18-7-6-16(13-22-18)15-8-10-21-11-9-15/h1-11,13,17,23H,12H2,(H,26,27)(H,22,24,25)/t17-/m1/s1
InChIKeyMUEIDANKWHXUNL-QGZVFWFLSA-N
XLogP2.96
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [(2R)-1-oxo-3-phenyl-1-[(5-pyridin-4-yl-2-pyridinyl)amino]propan-2-yl]carbamic acid with MolForge

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Related Compounds

(5-phenyl-2-pyridinyl)carbamic acid
CID 69225879
N-(5-pyridin-4-yl-2-pyridinyl)acetamide
CID 102057434
(2S)-2-[(4-methylphenyl)carbamoylamino]-3-phenyl-N-pyridin-4-ylpropanamide
CID 10248837
2-(4-methylphenyl)-N-(5-phenyl-2-pyridinyl)acetamide
CID 90935995
[(2S)-3-(3,4-difluorophenyl)-1-oxo-1-(3-pyridin-4-ylanilino)propan-2-yl]carbamic acid
CID 67497141
benzyl N-[(2R)-1-oxo-3-phenyl-1-(pyridin-2-ylamino)propan-2-yl]carbamate
CID 1131245
tert-butyl N-[(2S)-1-oxo-3-phenyl-1-(3-pyridin-4-ylanilino)propan-2-yl]carbamate
CID 71490875
2-(4-phenylphenyl)-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
CID 167973654
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-pyridin-4-ylphenyl)urea
CID 70681396
N-(5-chloro-2-pyridinyl)-3-phenyl-2-pyrrol-1-ylpropanamide
CID 121239964
N-(2-methoxy-5-pyridin-4-yl-3-pyridinyl)-3-phenyl-2-[(1-pyrimidin-2-ylcyclopropyl)amino]propanamide
CID 67497012
[(2S)-3-(4-fluorophenyl)-1-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)amino]-1-oxopropan-2-yl]carbamic acid
CID 67496659

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-3-phenyl-1-[(5-pyridin-4-yl-2-pyridinyl)amino]propan-2-yl]carbamic acid?
The IUPAC name of [(2R)-1-oxo-3-phenyl-1-[(5-pyridin-4-yl-2-pyridinyl)amino]propan-2-yl]carbamic acid (CID 141165087) is [(2R)-1-oxo-3-phenyl-1-[(5-pyridin-4-yl-2-pyridinyl)amino]propan-2-yl]carbamic acid.
What is the SMILES notation for [(2R)-1-oxo-3-phenyl-1-[(5-pyridin-4-yl-2-pyridinyl)amino]propan-2-yl]carbamic acid?
The canonical SMILES for [(2R)-1-oxo-3-phenyl-1-[(5-pyridin-4-yl-2-pyridinyl)amino]propan-2-yl]carbamic acid is O=C(O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(-c2ccncc2)cn1.
What is the InChIKey of [(2R)-1-oxo-3-phenyl-1-[(5-pyridin-4-yl-2-pyridinyl)amino]propan-2-yl]carbamic acid?
The InChIKey is MUEIDANKWHXUNL-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H18N4O3/c25-19(17(23-20(26)27)12-14-4-2-1-3-5-14)24-18-7-6-16(13-22-18)15-8-10-21-11-9-15/h1-11,13,17,23H,12H2,(H,26,27)(H,22,24,25)/t17-/m1/s1.
What are the key properties of [(2R)-1-oxo-3-phenyl-1-[(5-pyridin-4-yl-2-pyridinyl)amino]propan-2-yl]carbamic acid?
[(2R)-1-oxo-3-phenyl-1-[(5-pyridin-4-yl-2-pyridinyl)amino]propan-2-yl]carbamic acid has a molecular weight of 362.39 g/mol, XLogP of 2.96, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-3-phenyl-1-[(5-pyridin-4-yl-2-pyridinyl)amino]propan-2-yl]carbamic acid is sourced from PubChem (CID 141165087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).