4,9-dimethyl-N-(3-methylbutyl)-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide

C16H23N3O2 — CID 3329879

IUPAC4,9-dimethyl-N-(3-methylbutyl)-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
SMILESCC1=CC=CN2C1=NC(=O)CC2(C)C(=O)NCCC(C)C
InChIInChI=1S/C16H23N3O2/c1-11(2)7-8-17-15(21)16(4)10-13(20)18-14-12(3)6-5-9-19(14)16/h5-6,9,11H,7-8,10H2,1-4H3,(H,17,21)
InChIKeyZRBWJPIZXRNVPU-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.01
Rot. Bonds4

About 4,9-dimethyl-N-(3-methylbutyl)-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide

4,9-dimethyl-N-(3-methylbutyl)-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide (PubChem CID 3329879) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 4,9-dimethyl-N-(3-methylbutyl)-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name4,9-dimethyl-N-(3-methylbutyl)-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
PubChem CID3329879
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name4,9-dimethyl-N-(3-methylbutyl)-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
SMILESCC1=CC=CN2C1=NC(=O)CC2(C)C(=O)NCCC(C)C
InChIInChI=1S/C16H23N3O2/c1-11(2)7-8-17-15(21)16(4)10-13(20)18-14-12(3)6-5-9-19(14)16/h5-6,9,11H,7-8,10H2,1-4H3,(H,17,21)
InChIKeyZRBWJPIZXRNVPU-UHFFFAOYSA-N
XLogP2.01
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,9-dimethyl-N-(3-methylbutyl)-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The IUPAC name of 4,9-dimethyl-N-(3-methylbutyl)-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide (CID 3329879) is 4,9-dimethyl-N-(3-methylbutyl)-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide.
What is the SMILES notation for 4,9-dimethyl-N-(3-methylbutyl)-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The canonical SMILES for 4,9-dimethyl-N-(3-methylbutyl)-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide is CC1=CC=CN2C1=NC(=O)CC2(C)C(=O)NCCC(C)C.
What is the InChIKey of 4,9-dimethyl-N-(3-methylbutyl)-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The InChIKey is ZRBWJPIZXRNVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11(2)7-8-17-15(21)16(4)10-13(20)18-14-12(3)6-5-9-19(14)16/h5-6,9,11H,7-8,10H2,1-4H3,(H,17,21).
What are the key properties of 4,9-dimethyl-N-(3-methylbutyl)-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
4,9-dimethyl-N-(3-methylbutyl)-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9-dimethyl-N-(3-methylbutyl)-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide is sourced from PubChem (CID 3329879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).