N-[1-(4-fluorophenyl)propyl]-4,8-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide

C20H22FN3O2 — CID 46964011

IUPACN-[1-(4-fluorophenyl)propyl]-4,8-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
SMILESCCC(NC(=O)C1(C)CC(=O)N=C2C=C(C)C=CN21)c1ccc(F)cc1
InChIInChI=1S/C20H22FN3O2/c1-4-16(14-5-7-15(21)8-6-14)22-19(26)20(3)12-18(25)23-17-11-13(2)9-10-24(17)20/h5-11,16H,4,12H2,1-3H3,(H,22,26)
InChIKeyXVLZRTJDCPKVJF-UHFFFAOYSA-N
MW355.41 g/mol
LogP3.26
Rot. Bonds4

About N-[1-(4-fluorophenyl)propyl]-4,8-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide

N-[1-(4-fluorophenyl)propyl]-4,8-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide (PubChem CID 46964011) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)propyl]-4,8-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)propyl]-4,8-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
PubChem CID46964011
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC NameN-[1-(4-fluorophenyl)propyl]-4,8-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
SMILESCCC(NC(=O)C1(C)CC(=O)N=C2C=C(C)C=CN21)c1ccc(F)cc1
InChIInChI=1S/C20H22FN3O2/c1-4-16(14-5-7-15(21)8-6-14)22-19(26)20(3)12-18(25)23-17-11-13(2)9-10-24(17)20/h5-11,16H,4,12H2,1-3H3,(H,22,26)
InChIKeyXVLZRTJDCPKVJF-UHFFFAOYSA-N
XLogP3.26
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)propyl]-4,8-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)propyl]-4,8-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide (CID 46964011) is N-[1-(4-fluorophenyl)propyl]-4,8-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)propyl]-4,8-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)propyl]-4,8-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide is CCC(NC(=O)C1(C)CC(=O)N=C2C=C(C)C=CN21)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)propyl]-4,8-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The InChIKey is XVLZRTJDCPKVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2/c1-4-16(14-5-7-15(21)8-6-14)22-19(26)20(3)12-18(25)23-17-11-13(2)9-10-24(17)20/h5-11,16H,4,12H2,1-3H3,(H,22,26).
What are the key properties of N-[1-(4-fluorophenyl)propyl]-4,8-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
N-[1-(4-fluorophenyl)propyl]-4,8-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide has a molecular weight of 355.41 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)propyl]-4,8-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide is sourced from PubChem (CID 46964011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).