(3R)-3-(2-fluorophenyl)-3-[(6-oxo-2-pyridin-4-yl-1H-pyrimidine-5-carbonyl)amino]propanoic acid

C19H15FN4O4 — CID 97438177

IUPAC(3R)-3-(2-fluorophenyl)-3-[(6-oxo-2-pyridin-4-yl-1H-pyrimidine-5-carbonyl)amino]propanoic acid
SMILESO=C(O)C[C@@H](NC(=O)c1cnc(-c2ccncc2)[nH]c1=O)c1ccccc1F
InChIInChI=1S/C19H15FN4O4/c20-14-4-2-1-3-12(14)15(9-16(25)26)23-18(27)13-10-22-17(24-19(13)28)11-5-7-21-8-6-11/h1-8,10,15H,9H2,(H,23,27)(H,25,26)(H,22,24,28)/t15-/m1/s1
InChIKeyQIBADDBZRSJLMW-OAHLLOKOSA-N
MW382.35 g/mol
LogP1.92
Rot. Bonds6

About (3R)-3-(2-fluorophenyl)-3-[(6-oxo-2-pyridin-4-yl-1H-pyrimidine-5-carbonyl)amino]propanoic acid

(3R)-3-(2-fluorophenyl)-3-[(6-oxo-2-pyridin-4-yl-1H-pyrimidine-5-carbonyl)amino]propanoic acid (PubChem CID 97438177) has the molecular formula C19H15FN4O4 and a molecular weight of 382.35 g/mol. Its IUPAC name is (3R)-3-(2-fluorophenyl)-3-[(6-oxo-2-pyridin-4-yl-1H-pyrimidine-5-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(3R)-3-(2-fluorophenyl)-3-[(6-oxo-2-pyridin-4-yl-1H-pyrimidine-5-carbonyl)amino]propanoic acid
PubChem CID97438177
Molecular FormulaC19H15FN4O4
Molecular Weight382.35 g/mol
Exact Mass382.11
IUPAC Name(3R)-3-(2-fluorophenyl)-3-[(6-oxo-2-pyridin-4-yl-1H-pyrimidine-5-carbonyl)amino]propanoic acid
SMILESO=C(O)C[C@@H](NC(=O)c1cnc(-c2ccncc2)[nH]c1=O)c1ccccc1F
InChIInChI=1S/C19H15FN4O4/c20-14-4-2-1-3-12(14)15(9-16(25)26)23-18(27)13-10-22-17(24-19(13)28)11-5-7-21-8-6-11/h1-8,10,15H,9H2,(H,23,27)(H,25,26)(H,22,24,28)/t15-/m1/s1
InChIKeyQIBADDBZRSJLMW-OAHLLOKOSA-N
XLogP1.92
TPSA125.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.35
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (3R)-3-(2-fluorophenyl)-3-[(6-oxo-2-pyridin-4-yl-1H-pyrimidine-5-carbonyl)amino]propanoic acid with MolForge

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Related Compounds

6-oxo-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-2-pyridin-4-yl-1H-pyrimidine-5-carboxamide
CID 72869433
N-(2-acetamidoethyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 70725726
2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-N-(1-phenylpropyl)-1H-pyrimidine-5-carboxamide
CID 90384979
N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 92648757
N-(4-bromo-2-fluorophenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 92648639
N-[3-hydroxy-1-(4-methylphenyl)propyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide
CID 72898375
N-(2-methyl-6-propan-2-ylphenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 92648710
2-(4-chlorophenyl)-6-oxo-N-(pyridin-3-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 108786175
N-(2-ethylphenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 92648612
3-(2-fluorophenyl)-3-[(3-methyl-1-propylpyrazole-4-carbonyl)amino]propanoic acid
CID 72875177
3-(2-fluorophenyl)-3-[[2-(2-fluorophenyl)-3-oxo-1H-pyrazole-5-carbonyl]amino]propanoic acid
CID 90093506
2-[[2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carbonyl]amino]-2-methylbutanoic acid
CID 108799274

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-fluorophenyl)-3-[(6-oxo-2-pyridin-4-yl-1H-pyrimidine-5-carbonyl)amino]propanoic acid?
The IUPAC name of (3R)-3-(2-fluorophenyl)-3-[(6-oxo-2-pyridin-4-yl-1H-pyrimidine-5-carbonyl)amino]propanoic acid (CID 97438177) is (3R)-3-(2-fluorophenyl)-3-[(6-oxo-2-pyridin-4-yl-1H-pyrimidine-5-carbonyl)amino]propanoic acid.
What is the SMILES notation for (3R)-3-(2-fluorophenyl)-3-[(6-oxo-2-pyridin-4-yl-1H-pyrimidine-5-carbonyl)amino]propanoic acid?
The canonical SMILES for (3R)-3-(2-fluorophenyl)-3-[(6-oxo-2-pyridin-4-yl-1H-pyrimidine-5-carbonyl)amino]propanoic acid is O=C(O)C[C@@H](NC(=O)c1cnc(-c2ccncc2)[nH]c1=O)c1ccccc1F.
What is the InChIKey of (3R)-3-(2-fluorophenyl)-3-[(6-oxo-2-pyridin-4-yl-1H-pyrimidine-5-carbonyl)amino]propanoic acid?
The InChIKey is QIBADDBZRSJLMW-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H15FN4O4/c20-14-4-2-1-3-12(14)15(9-16(25)26)23-18(27)13-10-22-17(24-19(13)28)11-5-7-21-8-6-11/h1-8,10,15H,9H2,(H,23,27)(H,25,26)(H,22,24,28)/t15-/m1/s1.
What are the key properties of (3R)-3-(2-fluorophenyl)-3-[(6-oxo-2-pyridin-4-yl-1H-pyrimidine-5-carbonyl)amino]propanoic acid?
(3R)-3-(2-fluorophenyl)-3-[(6-oxo-2-pyridin-4-yl-1H-pyrimidine-5-carbonyl)amino]propanoic acid has a molecular weight of 382.35 g/mol, XLogP of 1.92, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-fluorophenyl)-3-[(6-oxo-2-pyridin-4-yl-1H-pyrimidine-5-carbonyl)amino]propanoic acid is sourced from PubChem (CID 97438177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).