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

C14H17N3O2 — CID 42937588

IUPACN-(2-methylbutan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCC(C)(C)NC(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C14H17N3O2/c1-4-14(2,3)16-12(18)10-9-15-11-7-5-6-8-17(11)13(10)19/h5-9H,4H2,1-3H3,(H,16,18)
InChIKeyYQITWVOLUBXWRR-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.61
Rot. Bonds3

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

N-(2-methylbutan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 42937588) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID42937588
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-(2-methylbutan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCC(C)(C)NC(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C14H17N3O2/c1-4-14(2,3)16-12(18)10-9-15-11-7-5-6-8-17(11)13(10)19/h5-9H,4H2,1-3H3,(H,16,18)
InChIKeyYQITWVOLUBXWRR-UHFFFAOYSA-N
XLogP1.61
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(2-methylbutan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 42937588) is N-(2-methylbutan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CCC(C)(C)NC(=O)c1cnc2ccccn2c1=O.
What is the InChIKey of N-(2-methylbutan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is YQITWVOLUBXWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-4-14(2,3)16-12(18)10-9-15-11-7-5-6-8-17(11)13(10)19/h5-9H,4H2,1-3H3,(H,16,18).
What are the key properties of N-(2-methylbutan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-(2-methylbutan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 42937588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).