N-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)butanamide

C14H17N3O2 — CID 16835720

IUPACN-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)butanamide
SMILESCCCC(=O)Nc1c(C)nc2ccc(C)cn2c1=O
InChIInChI=1S/C14H17N3O2/c1-4-5-12(18)16-13-10(3)15-11-7-6-9(2)8-17(11)14(13)19/h6-8H,4-5H2,1-3H3,(H,16,18)
InChIKeyGOZGNXVWFOCIEO-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.05
Rot. Bonds3

About N-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)butanamide

N-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)butanamide (PubChem CID 16835720) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)butanamide.

Molecular Properties

Compound NameN-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)butanamide
PubChem CID16835720
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)butanamide
SMILESCCCC(=O)Nc1c(C)nc2ccc(C)cn2c1=O
InChIInChI=1S/C14H17N3O2/c1-4-5-12(18)16-13-10(3)15-11-7-6-9(2)8-17(11)14(13)19/h6-8H,4-5H2,1-3H3,(H,16,18)
InChIKeyGOZGNXVWFOCIEO-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)butanamide?
The IUPAC name of N-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)butanamide (CID 16835720) is N-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)butanamide.
What is the SMILES notation for N-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)butanamide?
The canonical SMILES for N-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)butanamide is CCCC(=O)Nc1c(C)nc2ccc(C)cn2c1=O.
What is the InChIKey of N-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)butanamide?
The InChIKey is GOZGNXVWFOCIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-4-5-12(18)16-13-10(3)15-11-7-6-9(2)8-17(11)14(13)19/h6-8H,4-5H2,1-3H3,(H,16,18).
What are the key properties of N-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)butanamide?
N-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)butanamide has a molecular weight of 259.31 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)butanamide is sourced from PubChem (CID 16835720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).