N-[(4-fluorophenyl)methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C17H14FN3O2 — CID 20878685

IUPACN-[(4-fluorophenyl)methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccn2c(=O)c(C(=O)NCc3ccc(F)cc3)cnc2c1
InChIInChI=1S/C17H14FN3O2/c1-11-6-7-21-15(8-11)19-10-14(17(21)23)16(22)20-9-12-2-4-13(18)5-3-12/h2-8,10H,9H2,1H3,(H,20,22)
InChIKeyHWAPBDMUFLVXHP-UHFFFAOYSA-N
MW311.32 g/mol
LogP2.07
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-[(4-fluorophenyl)methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 20878685) has the molecular formula C17H14FN3O2 and a molecular weight of 311.32 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID20878685
Molecular FormulaC17H14FN3O2
Molecular Weight311.32 g/mol
Exact Mass311.11
IUPAC NameN-[(4-fluorophenyl)methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccn2c(=O)c(C(=O)NCc3ccc(F)cc3)cnc2c1
InChIInChI=1S/C17H14FN3O2/c1-11-6-7-21-15(8-11)19-10-14(17(21)23)16(22)20-9-12-2-4-13(18)5-3-12/h2-8,10H,9H2,1H3,(H,20,22)
InChIKeyHWAPBDMUFLVXHP-UHFFFAOYSA-N
XLogP2.07
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 20878685) is N-[(4-fluorophenyl)methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is Cc1ccn2c(=O)c(C(=O)NCc3ccc(F)cc3)cnc2c1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is HWAPBDMUFLVXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2/c1-11-6-7-21-15(8-11)19-10-14(17(21)23)16(22)20-9-12-2-4-13(18)5-3-12/h2-8,10H,9H2,1H3,(H,20,22).
What are the key properties of N-[(4-fluorophenyl)methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[(4-fluorophenyl)methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 311.32 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 20878685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).