N-[(4-fluorophenyl)methyl]-3-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide

C17H14FN3O3 — CID 54730634

IUPACN-[(4-fluorophenyl)methyl]-3-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
SMILESCc1cccn2c(=O)c(O)c(C(=O)NCc3ccc(F)cc3)nc12
InChIInChI=1S/C17H14FN3O3/c1-10-3-2-8-21-15(10)20-13(14(22)17(21)24)16(23)19-9-11-4-6-12(18)7-5-11/h2-8,22H,9H2,1H3,(H,19,23)
InChIKeyCDNNGOUZVGSJFV-UHFFFAOYSA-N
MW327.32 g/mol
LogP1.78
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]-3-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide

N-[(4-fluorophenyl)methyl]-3-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide (PubChem CID 54730634) has the molecular formula C17H14FN3O3 and a molecular weight of 327.32 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
PubChem CID54730634
Molecular FormulaC17H14FN3O3
Molecular Weight327.32 g/mol
Exact Mass327.10
IUPAC NameN-[(4-fluorophenyl)methyl]-3-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
SMILESCc1cccn2c(=O)c(O)c(C(=O)NCc3ccc(F)cc3)nc12
InChIInChI=1S/C17H14FN3O3/c1-10-3-2-8-21-15(10)20-13(14(22)17(21)24)16(23)19-9-11-4-6-12(18)7-5-11/h2-8,22H,9H2,1H3,(H,19,23)
InChIKeyCDNNGOUZVGSJFV-UHFFFAOYSA-N
XLogP1.78
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.32
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)methyl]-5,6-dihydroxy-2-methylpyrimidine-4-carboxamide
CID 135602046
N-Me-pyrimidone deriv., 24
CID 54677473
N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxo-pyrimidine-4-carboxamide
CID 54677477
N-(4-fluorobenzyl)-5-hydroxy-1-methyl-2-morpholin-3-yl-6-oxo-1,6-dihydropyrimidine-4-carboxamide
CID 54677504
N-[(4-fluorophenyl)methyl]-5-hydroxy-2-(4-methanesulfonyl-1-methylpiperazin-2-yl)-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxamide
CID 54677514
2-(4-acetyl-1-methylpiperazin-2-yl)-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxamide
CID 54677537
2-(1,4-dimethylpiperazin-2-yl)-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxo-pyrimidine-4-carboxamide
CID 54677551
Tert-butyl 3-(4-{[(4-fluorophenyl)methyl]carbamoyl}-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-4-methylpiperazine-1-carboxylate
CID 54677553
N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-(1-methyl-2-piperidyl)-6-oxo-pyrimidine-4-carboxamide
CID 54677580
2-[(2S,4S)-4-fluoro-1-methyl-pyrrolidin-2-yl]-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxo-pyrimidine-4-carboxamide
CID 54677623
N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-(1-methylpyrrolidin-2-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxamide
CID 54678776
N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-(4-methylthiomorpholin-3-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxamide
CID 54681772

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide (CID 54730634) is N-[(4-fluorophenyl)methyl]-3-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide is Cc1cccn2c(=O)c(O)c(C(=O)NCc3ccc(F)cc3)nc12.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is CDNNGOUZVGSJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O3/c1-10-3-2-8-21-15(10)20-13(14(22)17(21)24)16(23)19-9-11-4-6-12(18)7-5-11/h2-8,22H,9H2,1H3,(H,19,23).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?
N-[(4-fluorophenyl)methyl]-3-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 327.32 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 54730634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).