3-benzamido-4-oxo-N-propylpyrido[1,2-a]pyrimidine-9-carboxamide

C19H18N4O3 — CID 44783080

IUPAC3-benzamido-4-oxo-N-propylpyrido[1,2-a]pyrimidine-9-carboxamide
SMILESCCCNC(=O)c1cccn2c(=O)c(NC(=O)c3ccccc3)cnc12
InChIInChI=1S/C19H18N4O3/c1-2-10-20-18(25)14-9-6-11-23-16(14)21-12-15(19(23)26)22-17(24)13-7-4-3-5-8-13/h3-9,11-12H,2,10H2,1H3,(H,20,25)(H,22,24)
InChIKeyVJDCSMFULCIMNI-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.09
Rot. Bonds5

About 3-benzamido-4-oxo-N-propylpyrido[1,2-a]pyrimidine-9-carboxamide

3-benzamido-4-oxo-N-propylpyrido[1,2-a]pyrimidine-9-carboxamide (PubChem CID 44783080) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 3-benzamido-4-oxo-N-propylpyrido[1,2-a]pyrimidine-9-carboxamide.

Molecular Properties

Compound Name3-benzamido-4-oxo-N-propylpyrido[1,2-a]pyrimidine-9-carboxamide
PubChem CID44783080
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name3-benzamido-4-oxo-N-propylpyrido[1,2-a]pyrimidine-9-carboxamide
SMILESCCCNC(=O)c1cccn2c(=O)c(NC(=O)c3ccccc3)cnc12
InChIInChI=1S/C19H18N4O3/c1-2-10-20-18(25)14-9-6-11-23-16(14)21-12-15(19(23)26)22-17(24)13-7-4-3-5-8-13/h3-9,11-12H,2,10H2,1H3,(H,20,25)(H,22,24)
InChIKeyVJDCSMFULCIMNI-UHFFFAOYSA-N
XLogP2.09
TPSA92.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-imino-2-oxo-N-(1-phenylethyl)-7-propyl-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 3151369
2-[[4-(2-ethylbutanoyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135429226
2-(5-Amino-6-oxo-2-m-tolyl-6H-pyrimidin-1-yl)-N-(1-benzyl-3,3,3-trifluoro-2-oxo-propyl)-acetamide
CID 10479280
9-benzamido-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-pyrido[1,2-a]pyrimidine-2-carboxamide
CID 54730633
9-(benzamidomethyl)-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-pyrido[1,2-a]pyrimidine-2-carboxamide
CID 54730637
2-[1-[(3S,5R)-3,5-dimethylpiperazin-1-yl]butyl]-3-methylquinazolin-4-one
CID 153574202
2-[1-[(3S,5R)-3,5-dimethylpiperazin-1-yl]butyl]-3-ethylquinazolin-4-one
CID 153574348
N-Benzyl-2-imino-10-methyl-5-oxo-1-propyl-1,5-dihydro-2H-dipyrido[1,2-A:2,3-D]pyrimidine-3-carboxamide
CID 1050210
1-benzyl-N-cyclohexyl-2-imino-10-methyl-5-oxodipyrido[4,3-b:1'',2''-f]pyrimidine-3-carboxamide
CID 1319945
1-Butyl-2-imino-10-methyl-5-oxo-N-(1-phenylethyl)-1,5-dihydro-2H-dipyrido[1,2-A:2,3-D]pyrimidine-3-carboxamide
CID 3432697
1-Cyclohexyl-2-imino-10-methyl-5-oxo-N-(1-phenylethyl)-1,5-dihydro-2H-dipyrido[1,2-A:2,3-D]pyrimidine-3-carboxamide
CID 3481391
4(1H)-Quinazolinone, 2-(((5-ethyl-1,2-dihydro-6-methyl-2-oxo-3-pyridinyl)amino)methyl)-
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Frequently Asked Questions

What is the IUPAC name of 3-benzamido-4-oxo-N-propylpyrido[1,2-a]pyrimidine-9-carboxamide?
The IUPAC name of 3-benzamido-4-oxo-N-propylpyrido[1,2-a]pyrimidine-9-carboxamide (CID 44783080) is 3-benzamido-4-oxo-N-propylpyrido[1,2-a]pyrimidine-9-carboxamide.
What is the SMILES notation for 3-benzamido-4-oxo-N-propylpyrido[1,2-a]pyrimidine-9-carboxamide?
The canonical SMILES for 3-benzamido-4-oxo-N-propylpyrido[1,2-a]pyrimidine-9-carboxamide is CCCNC(=O)c1cccn2c(=O)c(NC(=O)c3ccccc3)cnc12.
What is the InChIKey of 3-benzamido-4-oxo-N-propylpyrido[1,2-a]pyrimidine-9-carboxamide?
The InChIKey is VJDCSMFULCIMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-2-10-20-18(25)14-9-6-11-23-16(14)21-12-15(19(23)26)22-17(24)13-7-4-3-5-8-13/h3-9,11-12H,2,10H2,1H3,(H,20,25)(H,22,24).
What are the key properties of 3-benzamido-4-oxo-N-propylpyrido[1,2-a]pyrimidine-9-carboxamide?
3-benzamido-4-oxo-N-propylpyrido[1,2-a]pyrimidine-9-carboxamide has a molecular weight of 350.38 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-4-oxo-N-propylpyrido[1,2-a]pyrimidine-9-carboxamide is sourced from PubChem (CID 44783080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).