N-[(2-chloro-6-fluorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C16H11ClFN3O2 — CID 131889223

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NCc1c(F)cccc1Cl)c1cnc2ccccn2c1=O
InChIInChI=1S/C16H11ClFN3O2/c17-12-4-3-5-13(18)10(12)8-20-15(22)11-9-19-14-6-1-2-7-21(14)16(11)23/h1-7,9H,8H2,(H,20,22)
InChIKeyXOHKQCRJILKFEC-UHFFFAOYSA-N
MW331.73 g/mol
LogP2.42
Rot. Bonds3

About N-[(2-chloro-6-fluorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-[(2-chloro-6-fluorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 131889223) has the molecular formula C16H11ClFN3O2 and a molecular weight of 331.73 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID131889223
Molecular FormulaC16H11ClFN3O2
Molecular Weight331.73 g/mol
Exact Mass331.05
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NCc1c(F)cccc1Cl)c1cnc2ccccn2c1=O
InChIInChI=1S/C16H11ClFN3O2/c17-12-4-3-5-13(18)10(12)8-20-15(22)11-9-19-14-6-1-2-7-21(14)16(11)23/h1-7,9H,8H2,(H,20,22)
InChIKeyXOHKQCRJILKFEC-UHFFFAOYSA-N
XLogP2.42
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.73
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chlorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 3396388
N'-(2-chlorobenzoyl)-4-oxopyrido[1,2-a]pyrimidine-3-carbohydrazide
CID 24627032
N-[(5-bromo-2-fluorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 46472876
N-(2-chlorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 4572245
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 110885527
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 16614902
N-(4-chloro-2-fluorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 24672239
N-(2-methylsulfinylethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 110226043
N-(3-aminobutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 119499484
4-oxo-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 16622345
N-[4-(4-fluorophenoxy)butyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 51329870
N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 131943923

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 131889223) is N-[(2-chloro-6-fluorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is O=C(NCc1c(F)cccc1Cl)c1cnc2ccccn2c1=O.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is XOHKQCRJILKFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFN3O2/c17-12-4-3-5-13(18)10(12)8-20-15(22)11-9-19-14-6-1-2-7-21(14)16(11)23/h1-7,9H,8H2,(H,20,22).
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[(2-chloro-6-fluorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 331.73 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 131889223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).