N-[(4-fluorophenyl)methyl]-4,7-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide

C18H18FN3O2 — CID 4532772

IUPACN-[(4-fluorophenyl)methyl]-4,7-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
SMILESCC1=CN2C(=NC(=O)CC2(C)C(=O)NCc2ccc(F)cc2)C=C1
InChIInChI=1S/C18H18FN3O2/c1-12-3-8-15-21-16(23)9-18(2,22(15)11-12)17(24)20-10-13-4-6-14(19)7-5-13/h3-8,11H,9-10H2,1-2H3,(H,20,24)
InChIKeyGEIJNPUNUNBAPI-UHFFFAOYSA-N
MW327.36 g/mol
LogP2.31
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]-4,7-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide

N-[(4-fluorophenyl)methyl]-4,7-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide (PubChem CID 4532772) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4,7-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4,7-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
PubChem CID4532772
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC NameN-[(4-fluorophenyl)methyl]-4,7-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
SMILESCC1=CN2C(=NC(=O)CC2(C)C(=O)NCc2ccc(F)cc2)C=C1
InChIInChI=1S/C18H18FN3O2/c1-12-3-8-15-21-16(23)9-18(2,22(15)11-12)17(24)20-10-13-4-6-14(19)7-5-13/h3-8,11H,9-10H2,1-2H3,(H,20,24)
InChIKeyGEIJNPUNUNBAPI-UHFFFAOYSA-N
XLogP2.31
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4,7-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4,7-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide (CID 4532772) is N-[(4-fluorophenyl)methyl]-4,7-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4,7-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4,7-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide is CC1=CN2C(=NC(=O)CC2(C)C(=O)NCc2ccc(F)cc2)C=C1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4,7-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The InChIKey is GEIJNPUNUNBAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c1-12-3-8-15-21-16(23)9-18(2,22(15)11-12)17(24)20-10-13-4-6-14(19)7-5-13/h3-8,11H,9-10H2,1-2H3,(H,20,24).
What are the key properties of N-[(4-fluorophenyl)methyl]-4,7-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
N-[(4-fluorophenyl)methyl]-4,7-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide has a molecular weight of 327.36 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4,7-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide is sourced from PubChem (CID 4532772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).