N-[(4-fluorophenyl)methyl]-6-oxo-2-[5-(oxocarbamoyl)-2-pyridinyl]-1H-pyrimidine-5-carboxamide

C18H12FN5O4 — CID 89149051

IUPACN-[(4-fluorophenyl)methyl]-6-oxo-2-[5-(oxocarbamoyl)-2-pyridinyl]-1H-pyrimidine-5-carboxamide
SMILESO=NC(=O)c1ccc(-c2ncc(C(=O)NCc3ccc(F)cc3)c(=O)[nH]2)nc1
InChIInChI=1S/C18H12FN5O4/c19-12-4-1-10(2-5-12)7-22-17(26)13-9-21-15(23-18(13)27)14-6-3-11(8-20-14)16(25)24-28/h1-6,8-9H,7H2,(H,22,26)(H,21,23,27)
InChIKeySHXAWLGESJDLPT-UHFFFAOYSA-N
MW381.32 g/mol
LogP1.81
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-6-oxo-2-[5-(oxocarbamoyl)-2-pyridinyl]-1H-pyrimidine-5-carboxamide

N-[(4-fluorophenyl)methyl]-6-oxo-2-[5-(oxocarbamoyl)-2-pyridinyl]-1H-pyrimidine-5-carboxamide (PubChem CID 89149051) has the molecular formula C18H12FN5O4 and a molecular weight of 381.32 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-6-oxo-2-[5-(oxocarbamoyl)-2-pyridinyl]-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-6-oxo-2-[5-(oxocarbamoyl)-2-pyridinyl]-1H-pyrimidine-5-carboxamide
PubChem CID89149051
Molecular FormulaC18H12FN5O4
Molecular Weight381.32 g/mol
Exact Mass381.09
IUPAC NameN-[(4-fluorophenyl)methyl]-6-oxo-2-[5-(oxocarbamoyl)-2-pyridinyl]-1H-pyrimidine-5-carboxamide
SMILESO=NC(=O)c1ccc(-c2ncc(C(=O)NCc3ccc(F)cc3)c(=O)[nH]2)nc1
InChIInChI=1S/C18H12FN5O4/c19-12-4-1-10(2-5-12)7-22-17(26)13-9-21-15(23-18(13)27)14-6-3-11(8-20-14)16(25)24-28/h1-6,8-9H,7H2,(H,22,26)(H,21,23,27)
InChIKeySHXAWLGESJDLPT-UHFFFAOYSA-N
XLogP1.81
TPSA134.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.32
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide
CID 18148195
N-[(4-fluorophenyl)methyl]-2-oxo-6-pyridin-2-yl-1H-pyridine-3-carboxamide
CID 47074210
6-(dipropylamino)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
CID 109156713
5-N-[(4-fluorophenyl)methyl]-2-N-hydroxypyridine-2,5-dicarboxamide
CID 44540008
N-benzyl-2-[(4-fluorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109255220
N-[(4-fluorophenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4181906
2-methyl-6-oxo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1H-pyrimidine-5-carboxamide
CID 91780687
4-(diethylamino)-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 42673855
2-bromo-5-fluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 8927292
2-(4-chlorophenyl)-6-oxo-N-(pyridin-3-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 108786175
N-[(2-fluorophenyl)methyl]-6-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109156514
N-[[3-(difluoromethoxy)phenyl]methyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide
CID 72881111

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-6-oxo-2-[5-(oxocarbamoyl)-2-pyridinyl]-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-6-oxo-2-[5-(oxocarbamoyl)-2-pyridinyl]-1H-pyrimidine-5-carboxamide (CID 89149051) is N-[(4-fluorophenyl)methyl]-6-oxo-2-[5-(oxocarbamoyl)-2-pyridinyl]-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-6-oxo-2-[5-(oxocarbamoyl)-2-pyridinyl]-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-6-oxo-2-[5-(oxocarbamoyl)-2-pyridinyl]-1H-pyrimidine-5-carboxamide is O=NC(=O)c1ccc(-c2ncc(C(=O)NCc3ccc(F)cc3)c(=O)[nH]2)nc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-6-oxo-2-[5-(oxocarbamoyl)-2-pyridinyl]-1H-pyrimidine-5-carboxamide?
The InChIKey is SHXAWLGESJDLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN5O4/c19-12-4-1-10(2-5-12)7-22-17(26)13-9-21-15(23-18(13)27)14-6-3-11(8-20-14)16(25)24-28/h1-6,8-9H,7H2,(H,22,26)(H,21,23,27).
What are the key properties of N-[(4-fluorophenyl)methyl]-6-oxo-2-[5-(oxocarbamoyl)-2-pyridinyl]-1H-pyrimidine-5-carboxamide?
N-[(4-fluorophenyl)methyl]-6-oxo-2-[5-(oxocarbamoyl)-2-pyridinyl]-1H-pyrimidine-5-carboxamide has a molecular weight of 381.32 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-6-oxo-2-[5-(oxocarbamoyl)-2-pyridinyl]-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 89149051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).