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

C17H15FN4O3 — CID 54730630

IUPACN-[(4-fluorophenyl)methyl]-3-hydroxy-9-(methylamino)-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
SMILESCNc1cccn2c(=O)c(O)c(C(=O)NCc3ccc(F)cc3)nc12
InChIInChI=1S/C17H15FN4O3/c1-19-12-3-2-8-22-15(12)21-13(14(23)17(22)25)16(24)20-9-10-4-6-11(18)7-5-10/h2-8,19,23H,9H2,1H3,(H,20,24)
InChIKeyXHOFPLVGTCQULP-UHFFFAOYSA-N
MW342.33 g/mol
LogP1.51
Rot. Bonds4

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

N-[(4-fluorophenyl)methyl]-3-hydroxy-9-(methylamino)-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide (PubChem CID 54730630) has the molecular formula C17H15FN4O3 and a molecular weight of 342.33 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-hydroxy-9-(methylamino)-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-hydroxy-9-(methylamino)-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
PubChem CID54730630
Molecular FormulaC17H15FN4O3
Molecular Weight342.33 g/mol
Exact Mass342.11
IUPAC NameN-[(4-fluorophenyl)methyl]-3-hydroxy-9-(methylamino)-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
SMILESCNc1cccn2c(=O)c(O)c(C(=O)NCc3ccc(F)cc3)nc12
InChIInChI=1S/C17H15FN4O3/c1-19-12-3-2-8-22-15(12)21-13(14(23)17(22)25)16(24)20-9-10-4-6-11(18)7-5-10/h2-8,19,23H,9H2,1H3,(H,20,24)
InChIKeyXHOFPLVGTCQULP-UHFFFAOYSA-N
XLogP1.51
TPSA95.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-hydroxy-9-(methylamino)-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-hydroxy-9-(methylamino)-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide (CID 54730630) is N-[(4-fluorophenyl)methyl]-3-hydroxy-9-(methylamino)-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-hydroxy-9-(methylamino)-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-hydroxy-9-(methylamino)-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide is CNc1cccn2c(=O)c(O)c(C(=O)NCc3ccc(F)cc3)nc12.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-hydroxy-9-(methylamino)-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is XHOFPLVGTCQULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O3/c1-19-12-3-2-8-22-15(12)21-13(14(23)17(22)25)16(24)20-9-10-4-6-11(18)7-5-10/h2-8,19,23H,9H2,1H3,(H,20,24).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-hydroxy-9-(methylamino)-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide?
N-[(4-fluorophenyl)methyl]-3-hydroxy-9-(methylamino)-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 342.33 g/mol, XLogP of 1.51, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-hydroxy-9-(methylamino)-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 54730630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).