N-[(4-methoxyphenyl)methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C18H17N3O3 — CID 4151343

IUPACN-[(4-methoxyphenyl)methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cnc3cc(C)ccn3c2=O)cc1
InChIInChI=1S/C18H17N3O3/c1-12-7-8-21-16(9-12)19-11-15(18(21)23)17(22)20-10-13-3-5-14(24-2)6-4-13/h3-9,11H,10H2,1-2H3,(H,20,22)
InChIKeyMWYMANQQXPIBJJ-UHFFFAOYSA-N
MW323.35 g/mol
LogP1.94
Rot. Bonds4

About N-[(4-methoxyphenyl)methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-[(4-methoxyphenyl)methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 4151343) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID4151343
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC NameN-[(4-methoxyphenyl)methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cnc3cc(C)ccn3c2=O)cc1
InChIInChI=1S/C18H17N3O3/c1-12-7-8-21-16(9-12)19-11-15(18(21)23)17(22)20-10-13-3-5-14(24-2)6-4-13/h3-9,11H,10H2,1-2H3,(H,20,22)
InChIKeyMWYMANQQXPIBJJ-UHFFFAOYSA-N
XLogP1.94
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-2-imino-1-[2-(4-methoxyphenyl)ethyl]-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
CID 3696689
5-N-cyclopropyl-1-[(4-methoxyphenyl)methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 126648941
2-(4-methoxyphenyl)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 10848404
6-imino-N-[(4-methoxyphenyl)methyl]-2-oxo-7-(oxolan-2-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 662425
6-imino-7-(2-methoxyethyl)-N-[2-(4-methoxyphenyl)ethyl]-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 664239
4-methoxy-N-(4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)benzamide
CID 2242340
N-(1,3-benzodioxol-5-ylmethyl)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 3237790
N-benzyl-2-imino-1-[2-(4-methoxyphenyl)ethyl]-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
CID 3290280
N-cyclohexyl-6-imino-7-[(4-methoxyphenyl)methyl]-2-oxo-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 3469750
2-imino-N-[2-(4-methoxyphenyl)ethyl]-1,10-dimethyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
CID 3571847
N-cyclohexyl-6-imino-7-[2-(4-methoxyphenyl)ethyl]-2-oxo-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 3723398
6-imino-N-[2-(4-methoxyphenyl)ethyl]-2-oxo-7-[(oxolan-2-yl)methyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 3749349

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 4151343) is N-[(4-methoxyphenyl)methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is COc1ccc(CNC(=O)c2cnc3cc(C)ccn3c2=O)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is MWYMANQQXPIBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-12-7-8-21-16(9-12)19-11-15(18(21)23)17(22)20-10-13-3-5-14(24-2)6-4-13/h3-9,11H,10H2,1-2H3,(H,20,22).
What are the key properties of N-[(4-methoxyphenyl)methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[(4-methoxyphenyl)methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 323.35 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 4151343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).