7-methyl-4-oxo-N-prop-2-enylpyrido[1,2-a]pyrimidine-3-carboxamide

C13H13N3O2 — CID 20878715

IUPAC7-methyl-4-oxo-N-prop-2-enylpyrido[1,2-a]pyrimidine-3-carboxamide
SMILESC=CCNC(=O)c1cnc2ccc(C)cn2c1=O
InChIInChI=1S/C13H13N3O2/c1-3-6-14-12(17)10-7-15-11-5-4-9(2)8-16(11)13(10)18/h3-5,7-8H,1,6H2,2H3,(H,14,17)
InChIKeyLRODYIJJJSTJIU-UHFFFAOYSA-N
MW243.27 g/mol
LogP0.92
Rot. Bonds3

About 7-methyl-4-oxo-N-prop-2-enylpyrido[1,2-a]pyrimidine-3-carboxamide

7-methyl-4-oxo-N-prop-2-enylpyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 20878715) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 7-methyl-4-oxo-N-prop-2-enylpyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-methyl-4-oxo-N-prop-2-enylpyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID20878715
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name7-methyl-4-oxo-N-prop-2-enylpyrido[1,2-a]pyrimidine-3-carboxamide
SMILESC=CCNC(=O)c1cnc2ccc(C)cn2c1=O
InChIInChI=1S/C13H13N3O2/c1-3-6-14-12(17)10-7-15-11-5-4-9(2)8-16(11)13(10)18/h3-5,7-8H,1,6H2,2H3,(H,14,17)
InChIKeyLRODYIJJJSTJIU-UHFFFAOYSA-N
XLogP0.92
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, 9-methyl-4-oxo-N-propyl-
CID 3079293
1-Ethyl-2-imino-N-methyl-5-oxo-1,5-dihydro-2H-dipyrido(1,2-A:2,3-D)pyrimidine-3-carboxamide
CID 701425
1-ET-2-Imino-5-oxo-1,5-dihydro-2H-dipyrido(1,2-A:2,3-D)pyrimidine-3-carboxamide
CID 706429
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N,6-dimethyl-4-oxo-
CID 3079272
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, 6-methyl-4-oxo-N-propyl-
CID 3079273
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, 6-methyl-N-(1-methylethyl)-4-oxo-
CID 3079274
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N-butyl-6-methyl-4-oxo-
CID 3079275
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N-(1,1-dimethylethyl)-6-methyl-4-oxo-
CID 3079276
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, 6-methyl-4-oxo-N-pentyl-
CID 3079277
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N-(2,2-dimethylpropyl)-6-methyl-4-oxo-
CID 3079278
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N-cyclopropyl-6-methyl-4-oxo-
CID 3079283
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, 4-oxo-N-propyl-
CID 3079290

Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-oxo-N-prop-2-enylpyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-methyl-4-oxo-N-prop-2-enylpyrido[1,2-a]pyrimidine-3-carboxamide (CID 20878715) is 7-methyl-4-oxo-N-prop-2-enylpyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-methyl-4-oxo-N-prop-2-enylpyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-methyl-4-oxo-N-prop-2-enylpyrido[1,2-a]pyrimidine-3-carboxamide is C=CCNC(=O)c1cnc2ccc(C)cn2c1=O.
What is the InChIKey of 7-methyl-4-oxo-N-prop-2-enylpyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is LRODYIJJJSTJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-3-6-14-12(17)10-7-15-11-5-4-9(2)8-16(11)13(10)18/h3-5,7-8H,1,6H2,2H3,(H,14,17).
What are the key properties of 7-methyl-4-oxo-N-prop-2-enylpyrido[1,2-a]pyrimidine-3-carboxamide?
7-methyl-4-oxo-N-prop-2-enylpyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 243.27 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-oxo-N-prop-2-enylpyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 20878715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).