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

C14H16ClN3O2 — CID 18566152

IUPACN-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)pentanamide
SMILESCCCCC(=O)Nc1c(C)nc2ccc(Cl)cn2c1=O
InChIInChI=1S/C14H16ClN3O2/c1-3-4-5-12(19)17-13-9(2)16-11-7-6-10(15)8-18(11)14(13)20/h6-8H,3-5H2,1-2H3,(H,17,19)
InChIKeyCOUFCXFSMLTAMT-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.79
Rot. Bonds4

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

N-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)pentanamide (PubChem CID 18566152) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is N-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)pentanamide.

Molecular Properties

Compound NameN-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)pentanamide
PubChem CID18566152
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC NameN-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)pentanamide
SMILESCCCCC(=O)Nc1c(C)nc2ccc(Cl)cn2c1=O
InChIInChI=1S/C14H16ClN3O2/c1-3-4-5-12(19)17-13-9(2)16-11-7-6-10(15)8-18(11)14(13)20/h6-8H,3-5H2,1-2H3,(H,17,19)
InChIKeyCOUFCXFSMLTAMT-UHFFFAOYSA-N
XLogP2.79
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.79
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)pentanamide?
The IUPAC name of N-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)pentanamide (CID 18566152) is N-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)pentanamide.
What is the SMILES notation for N-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)pentanamide?
The canonical SMILES for N-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)pentanamide is CCCCC(=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)pentanamide?
The InChIKey is COUFCXFSMLTAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-3-4-5-12(19)17-13-9(2)16-11-7-6-10(15)8-18(11)14(13)20/h6-8H,3-5H2,1-2H3,(H,17,19).
What are the key properties of N-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)pentanamide?
N-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)pentanamide has a molecular weight of 293.75 g/mol, XLogP of 2.79, 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)pentanamide is sourced from PubChem (CID 18566152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).