N-[4-[(2-chlorophenyl)methoxy]phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C22H16ClN3O3 — CID 60552604

IUPACN-[4-[(2-chlorophenyl)methoxy]phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1ccc(OCc2ccccc2Cl)cc1)c1cnc2ccccn2c1=O
InChIInChI=1S/C22H16ClN3O3/c23-19-6-2-1-5-15(19)14-29-17-10-8-16(9-11-17)25-21(27)18-13-24-20-7-3-4-12-26(20)22(18)28/h1-13H,14H2,(H,25,27)
InChIKeyFRXPDJAXWUKPCD-UHFFFAOYSA-N
MW405.84 g/mol
LogP4.18
Rot. Bonds5

About N-[4-[(2-chlorophenyl)methoxy]phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-[4-[(2-chlorophenyl)methoxy]phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 60552604) has the molecular formula C22H16ClN3O3 and a molecular weight of 405.84 g/mol. Its IUPAC name is N-[4-[(2-chlorophenyl)methoxy]phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-chlorophenyl)methoxy]phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID60552604
Molecular FormulaC22H16ClN3O3
Molecular Weight405.84 g/mol
Exact Mass405.09
IUPAC NameN-[4-[(2-chlorophenyl)methoxy]phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1ccc(OCc2ccccc2Cl)cc1)c1cnc2ccccn2c1=O
InChIInChI=1S/C22H16ClN3O3/c23-19-6-2-1-5-15(19)14-29-17-10-8-16(9-11-17)25-21(27)18-13-24-20-7-3-4-12-26(20)22(18)28/h1-13H,14H2,(H,25,27)
InChIKeyFRXPDJAXWUKPCD-UHFFFAOYSA-N
XLogP4.18
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.84
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dichlorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 51329791
N-[(2-chlorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 3396388
N-(2-chlorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 4572245
N'-(2-chlorobenzoyl)-4-oxopyrido[1,2-a]pyrimidine-3-carbohydrazide
CID 24627032
N-(4-amino-3,5-dichlorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 16621733
propyl 4-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]benzoate
CID 51329815
4-oxo-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 86929665
4-[(2-chlorophenyl)methoxy]-N-phenylbenzamide
CID 8813243
N-[4-[(2-fluorophenyl)methoxy]phenyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 46974717
N-(4-bromo-3-methylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 20878677
4-[(2-chlorophenyl)methoxy]-N-(4-phenoxyphenyl)benzamide
CID 19916426
N-(3-carbamoylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 24675352

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-chlorophenyl)methoxy]phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[4-[(2-chlorophenyl)methoxy]phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 60552604) is N-[4-[(2-chlorophenyl)methoxy]phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[4-[(2-chlorophenyl)methoxy]phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[4-[(2-chlorophenyl)methoxy]phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is O=C(Nc1ccc(OCc2ccccc2Cl)cc1)c1cnc2ccccn2c1=O.
What is the InChIKey of N-[4-[(2-chlorophenyl)methoxy]phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is FRXPDJAXWUKPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3O3/c23-19-6-2-1-5-15(19)14-29-17-10-8-16(9-11-17)25-21(27)18-13-24-20-7-3-4-12-26(20)22(18)28/h1-13H,14H2,(H,25,27).
What are the key properties of N-[4-[(2-chlorophenyl)methoxy]phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[4-[(2-chlorophenyl)methoxy]phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 405.84 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-chlorophenyl)methoxy]phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 60552604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).