N-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-ethylbutanamide

C15H18ClN3O2 — CID 22580012

IUPACN-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1c(C)nc2ccc(Cl)cn2c1=O
InChIInChI=1S/C15H18ClN3O2/c1-4-10(5-2)14(20)18-13-9(3)17-12-7-6-11(16)8-19(12)15(13)21/h6-8,10H,4-5H2,1-3H3,(H,18,20)
InChIKeyKOVVEBAUOQKOQA-UHFFFAOYSA-N
MW307.78 g/mol
LogP3.03
Rot. Bonds4

About N-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-ethylbutanamide

N-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-ethylbutanamide (PubChem CID 22580012) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is N-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-ethylbutanamide.

Molecular Properties

Compound NameN-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-ethylbutanamide
PubChem CID22580012
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC NameN-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1c(C)nc2ccc(Cl)cn2c1=O
InChIInChI=1S/C15H18ClN3O2/c1-4-10(5-2)14(20)18-13-9(3)17-12-7-6-11(16)8-19(12)15(13)21/h6-8,10H,4-5H2,1-3H3,(H,18,20)
InChIKeyKOVVEBAUOQKOQA-UHFFFAOYSA-N
XLogP3.03
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-ethylbutanamide?
The IUPAC name of N-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-ethylbutanamide (CID 22580012) is N-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-ethylbutanamide.
What is the SMILES notation for N-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-ethylbutanamide?
The canonical SMILES for N-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-ethylbutanamide is CCC(CC)C(=O)Nc1c(C)nc2ccc(Cl)cn2c1=O.
What is the InChIKey of N-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-ethylbutanamide?
The InChIKey is KOVVEBAUOQKOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-4-10(5-2)14(20)18-13-9(3)17-12-7-6-11(16)8-19(12)15(13)21/h6-8,10H,4-5H2,1-3H3,(H,18,20).
What are the key properties of N-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-ethylbutanamide?
N-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-ethylbutanamide has a molecular weight of 307.78 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-ethylbutanamide is sourced from PubChem (CID 22580012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).