N,N-diethyl-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C14H17N3O2 — CID 42890836

IUPACN,N-diethyl-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCN(CC)C(=O)c1cnc2ccc(C)cn2c1=O
InChIInChI=1S/C14H17N3O2/c1-4-16(5-2)13(18)11-8-15-12-7-6-10(3)9-17(12)14(11)19/h6-9H,4-5H2,1-3H3
InChIKeyDQICAIUNGGBUNE-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.48
Rot. Bonds3

About N,N-diethyl-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N,N-diethyl-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 42890836) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N,N-diethyl-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID42890836
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN,N-diethyl-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCN(CC)C(=O)c1cnc2ccc(C)cn2c1=O
InChIInChI=1S/C14H17N3O2/c1-4-16(5-2)13(18)11-8-15-12-7-6-10(3)9-17(12)14(11)19/h6-9H,4-5H2,1-3H3
InChIKeyDQICAIUNGGBUNE-UHFFFAOYSA-N
XLogP1.48
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N,N-diethyl-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 42890836) is N,N-diethyl-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N,N-diethyl-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N,N-diethyl-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CCN(CC)C(=O)c1cnc2ccc(C)cn2c1=O.
What is the InChIKey of N,N-diethyl-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is DQICAIUNGGBUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-4-16(5-2)13(18)11-8-15-12-7-6-10(3)9-17(12)14(11)19/h6-9H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N,N-diethyl-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 42890836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).