2-methoxy-N-(9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide

C17H15N3O3 — CID 18891605

IUPAC2-methoxy-N-(9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide
SMILESCOc1ccccc1C(=O)Nc1cnc2c(C)cccn2c1=O
InChIInChI=1S/C17H15N3O3/c1-11-6-5-9-20-15(11)18-10-13(17(20)22)19-16(21)12-7-3-4-8-14(12)23-2/h3-10H,1-2H3,(H,19,21)
InChIKeyNFGXIMNAOSGVIX-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.26
Rot. Bonds3

About 2-methoxy-N-(9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide

2-methoxy-N-(9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide (PubChem CID 18891605) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 2-methoxy-N-(9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide.

Molecular Properties

Compound Name2-methoxy-N-(9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide
PubChem CID18891605
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name2-methoxy-N-(9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide
SMILESCOc1ccccc1C(=O)Nc1cnc2c(C)cccn2c1=O
InChIInChI=1S/C17H15N3O3/c1-11-6-5-9-20-15(11)18-10-13(17(20)22)19-16(21)12-7-3-4-8-14(12)23-2/h3-10H,1-2H3,(H,19,21)
InChIKeyNFGXIMNAOSGVIX-UHFFFAOYSA-N
XLogP2.26
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)benzamide
CID 86763860
2-methoxy-N-(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)benzamide
CID 18891536
N-(2-acetamidophenyl)-2-methoxybenzamide
CID 113093661
N-(3-cyclopentyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-2-methoxybenzamide
CID 86763634
3-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]amino]-4-oxo-N-propylpyrido[1,2-a]pyrimidine-9-carboxamide
CID 44783219
N-(2-imidazol-1-ylphenyl)-2-methoxybenzamide
CID 12911562
N-(2-methoxy-5-methylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 20878675
N-butyl-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 46364466
3-[(2-methoxybenzoyl)amino]pyridine-2-carboxylic acid
CID 104740315
2-chloro-N-[2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide
CID 46356036
2-methoxy-N-(2-prop-1-en-2-ylphenyl)benzamide
CID 175134678
N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 92626081

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide?
The IUPAC name of 2-methoxy-N-(9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide (CID 18891605) is 2-methoxy-N-(9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide.
What is the SMILES notation for 2-methoxy-N-(9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide?
The canonical SMILES for 2-methoxy-N-(9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide is COc1ccccc1C(=O)Nc1cnc2c(C)cccn2c1=O.
What is the InChIKey of 2-methoxy-N-(9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide?
The InChIKey is NFGXIMNAOSGVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-11-6-5-9-20-15(11)18-10-13(17(20)22)19-16(21)12-7-3-4-8-14(12)23-2/h3-10H,1-2H3,(H,19,21).
What are the key properties of 2-methoxy-N-(9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide?
2-methoxy-N-(9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide has a molecular weight of 309.33 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide is sourced from PubChem (CID 18891605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).