N-(3-methylbutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C14H17N3O2 — CID 16614765

IUPACN-(3-methylbutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC(C)CCNC(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C14H17N3O2/c1-10(2)6-7-15-13(18)11-9-16-12-5-3-4-8-17(12)14(11)19/h3-5,8-10H,6-7H2,1-2H3,(H,15,18)
InChIKeySEJGOQCNFFODOB-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.47
Rot. Bonds4

About N-(3-methylbutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-(3-methylbutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 16614765) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-(3-methylbutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID16614765
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-(3-methylbutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC(C)CCNC(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C14H17N3O2/c1-10(2)6-7-15-13(18)11-9-16-12-5-3-4-8-17(12)14(11)19/h3-5,8-10H,6-7H2,1-2H3,(H,15,18)
InChIKeySEJGOQCNFFODOB-UHFFFAOYSA-N
XLogP1.47
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(3-methylbutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 16614765) is N-(3-methylbutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CC(C)CCNC(=O)c1cnc2ccccn2c1=O.
What is the InChIKey of N-(3-methylbutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is SEJGOQCNFFODOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10(2)6-7-15-13(18)11-9-16-12-5-3-4-8-17(12)14(11)19/h3-5,8-10H,6-7H2,1-2H3,(H,15,18).
What are the key properties of N-(3-methylbutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-(3-methylbutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 16614765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).