N-(2,4-dimethoxyphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C17H15N3O4 — CID 4575307

IUPACN-(2,4-dimethoxyphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc3ccccn3c2=O)c(OC)c1
InChIInChI=1S/C17H15N3O4/c1-23-11-6-7-13(14(9-11)24-2)19-16(21)12-10-18-15-5-3-4-8-20(15)17(12)22/h3-10H,1-2H3,(H,19,21)
InChIKeyDXTDVUQFNYRZPO-UHFFFAOYSA-N
MW325.32 g/mol
LogP1.96
Rot. Bonds4

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

N-(2,4-dimethoxyphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 4575307) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID4575307
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC NameN-(2,4-dimethoxyphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc3ccccn3c2=O)c(OC)c1
InChIInChI=1S/C17H15N3O4/c1-23-11-6-7-13(14(9-11)24-2)19-16(21)12-10-18-15-5-3-4-8-20(15)17(12)22/h3-10H,1-2H3,(H,19,21)
InChIKeyDXTDVUQFNYRZPO-UHFFFAOYSA-N
XLogP1.96
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxy-5-methylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 20878675
N-(2,5-dimethoxyphenyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 20878698
3-(4-methoxybenzoyl)pyrido[1,2-a]pyrimidin-4-one
CID 97032771
N-(2-chlorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 4572245
N-(4-chloro-2-fluorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 24672239
(7-methoxynaphthalen-2-yl) 4-oxopyrido[1,2-a]pyrimidine-3-carboxylate
CID 134043010
4-oxo-N-[2-(propan-2-ylcarbamoylamino)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 60555535
N-(2,4-dimethoxyphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide
CID 9355806
2-chloro-N-(2,4-dimethoxyphenyl)benzamide
CID 722324
N-(3,4-dichlorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 51329791
2-amino-N-(2,4-dimethoxyphenyl)benzamide
CID 902679
N-[3-(4-methoxybenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 112809145

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 4575307) is N-(2,4-dimethoxyphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is COc1ccc(NC(=O)c2cnc3ccccn3c2=O)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is DXTDVUQFNYRZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4/c1-23-11-6-7-13(14(9-11)24-2)19-16(21)12-10-18-15-5-3-4-8-20(15)17(12)22/h3-10H,1-2H3,(H,19,21).
What are the key properties of N-(2,4-dimethoxyphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-(2,4-dimethoxyphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 325.32 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 4575307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).