3-(3-methylbutanoylamino)-4-oxo-N-propylpyrido[1,2-a]pyrimidine-9-carboxamide

C17H22N4O3 — CID 44783077

IUPAC3-(3-methylbutanoylamino)-4-oxo-N-propylpyrido[1,2-a]pyrimidine-9-carboxamide
SMILESCCCNC(=O)c1cccn2c(=O)c(NC(=O)CC(C)C)cnc12
InChIInChI=1S/C17H22N4O3/c1-4-7-18-16(23)12-6-5-8-21-15(12)19-10-13(17(21)24)20-14(22)9-11(2)3/h5-6,8,10-11H,4,7,9H2,1-3H3,(H,18,23)(H,20,22)
InChIKeyAAAFXGVYSVVCQH-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.82
Rot. Bonds6

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

3-(3-methylbutanoylamino)-4-oxo-N-propylpyrido[1,2-a]pyrimidine-9-carboxamide (PubChem CID 44783077) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 3-(3-methylbutanoylamino)-4-oxo-N-propylpyrido[1,2-a]pyrimidine-9-carboxamide.

Molecular Properties

Compound Name3-(3-methylbutanoylamino)-4-oxo-N-propylpyrido[1,2-a]pyrimidine-9-carboxamide
PubChem CID44783077
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name3-(3-methylbutanoylamino)-4-oxo-N-propylpyrido[1,2-a]pyrimidine-9-carboxamide
SMILESCCCNC(=O)c1cccn2c(=O)c(NC(=O)CC(C)C)cnc12
InChIInChI=1S/C17H22N4O3/c1-4-7-18-16(23)12-6-5-8-21-15(12)19-10-13(17(21)24)20-14(22)9-11(2)3/h5-6,8,10-11H,4,7,9H2,1-3H3,(H,18,23)(H,20,22)
InChIKeyAAAFXGVYSVVCQH-UHFFFAOYSA-N
XLogP1.82
TPSA92.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbutanoylamino)-4-oxo-N-propylpyrido[1,2-a]pyrimidine-9-carboxamide?
The IUPAC name of 3-(3-methylbutanoylamino)-4-oxo-N-propylpyrido[1,2-a]pyrimidine-9-carboxamide (CID 44783077) is 3-(3-methylbutanoylamino)-4-oxo-N-propylpyrido[1,2-a]pyrimidine-9-carboxamide.
What is the SMILES notation for 3-(3-methylbutanoylamino)-4-oxo-N-propylpyrido[1,2-a]pyrimidine-9-carboxamide?
The canonical SMILES for 3-(3-methylbutanoylamino)-4-oxo-N-propylpyrido[1,2-a]pyrimidine-9-carboxamide is CCCNC(=O)c1cccn2c(=O)c(NC(=O)CC(C)C)cnc12.
What is the InChIKey of 3-(3-methylbutanoylamino)-4-oxo-N-propylpyrido[1,2-a]pyrimidine-9-carboxamide?
The InChIKey is AAAFXGVYSVVCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-4-7-18-16(23)12-6-5-8-21-15(12)19-10-13(17(21)24)20-14(22)9-11(2)3/h5-6,8,10-11H,4,7,9H2,1-3H3,(H,18,23)(H,20,22).
What are the key properties of 3-(3-methylbutanoylamino)-4-oxo-N-propylpyrido[1,2-a]pyrimidine-9-carboxamide?
3-(3-methylbutanoylamino)-4-oxo-N-propylpyrido[1,2-a]pyrimidine-9-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbutanoylamino)-4-oxo-N-propylpyrido[1,2-a]pyrimidine-9-carboxamide is sourced from PubChem (CID 44783077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).