6-methyl-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride

C13H16ClN3O2 — CID 3079299

IUPAC6-methyl-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride
SMILESCCCNC(=O)c1cnc2cccc(C)n2c1=O.Cl
InChIInChI=1S/C13H15N3O2.ClH/c1-3-7-14-12(17)10-8-15-11-6-4-5-9(2)16(11)13(10)18;/h4-6,8H,3,7H2,1-2H3,(H,14,17);1H
InChIKeyAPUUGBZGNWRQHK-UHFFFAOYSA-N
MW281.74 g/mol
LogP1.56
Rot. Bonds3

About 6-methyl-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride

6-methyl-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride (PubChem CID 3079299) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is 6-methyl-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name6-methyl-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride
PubChem CID3079299
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC Name6-methyl-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride
SMILESCCCNC(=O)c1cnc2cccc(C)n2c1=O.Cl
InChIInChI=1S/C13H15N3O2.ClH/c1-3-7-14-12(17)10-8-15-11-6-4-5-9(2)16(11)13(10)18;/h4-6,8H,3,7H2,1-2H3,(H,14,17);1H
InChIKeyAPUUGBZGNWRQHK-UHFFFAOYSA-N
XLogP1.56
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride?
The IUPAC name of 6-methyl-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride (CID 3079299) is 6-methyl-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 6-methyl-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride?
The canonical SMILES for 6-methyl-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride is CCCNC(=O)c1cnc2cccc(C)n2c1=O.Cl.
What is the InChIKey of 6-methyl-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride?
The InChIKey is APUUGBZGNWRQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2.ClH/c1-3-7-14-12(17)10-8-15-11-6-4-5-9(2)16(11)13(10)18;/h4-6,8H,3,7H2,1-2H3,(H,14,17);1H.
What are the key properties of 6-methyl-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride?
6-methyl-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride has a molecular weight of 281.74 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 3079299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).