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

C14H17N3O2 — CID 7217027

IUPACN-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)pentanamide
SMILESCCCCC(=O)Nc1c(C)nc2ccccn2c1=O
InChIInChI=1S/C14H17N3O2/c1-3-4-8-12(18)16-13-10(2)15-11-7-5-6-9-17(11)14(13)19/h5-7,9H,3-4,8H2,1-2H3,(H,16,18)
InChIKeyZAODXZYVPMSWKU-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.13
Rot. Bonds4

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

N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)pentanamide (PubChem CID 7217027) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)pentanamide.

Molecular Properties

Compound NameN-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)pentanamide
PubChem CID7217027
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)pentanamide
SMILESCCCCC(=O)Nc1c(C)nc2ccccn2c1=O
InChIInChI=1S/C14H17N3O2/c1-3-4-8-12(18)16-13-10(2)15-11-7-5-6-9-17(11)14(13)19/h5-7,9H,3-4,8H2,1-2H3,(H,16,18)
InChIKeyZAODXZYVPMSWKU-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)pentanamide?
The IUPAC name of N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)pentanamide (CID 7217027) is N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)pentanamide.
What is the SMILES notation for N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)pentanamide?
The canonical SMILES for N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)pentanamide is CCCCC(=O)Nc1c(C)nc2ccccn2c1=O.
What is the InChIKey of N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)pentanamide?
The InChIKey is ZAODXZYVPMSWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-3-4-8-12(18)16-13-10(2)15-11-7-5-6-9-17(11)14(13)19/h5-7,9H,3-4,8H2,1-2H3,(H,16,18).
What are the key properties of N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)pentanamide?
N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)pentanamide has a molecular weight of 259.31 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)pentanamide is sourced from PubChem (CID 7217027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).