3-ethyl-2-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carbonitrile

C12H11N3O — CID 150974917

IUPAC3-ethyl-2-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carbonitrile
SMILESCCc1c(C)nc2ccc(C#N)cn2c1=O
InChIInChI=1S/C12H11N3O/c1-3-10-8(2)14-11-5-4-9(6-13)7-15(11)12(10)16/h4-5,7H,3H2,1-2H3
InChIKeyLOWVMOAJOXTLEA-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.44
Rot. Bonds1

About 3-ethyl-2-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carbonitrile

3-ethyl-2-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carbonitrile (PubChem CID 150974917) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is 3-ethyl-2-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carbonitrile.

Molecular Properties

Compound Name3-ethyl-2-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carbonitrile
PubChem CID150974917
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC Name3-ethyl-2-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carbonitrile
SMILESCCc1c(C)nc2ccc(C#N)cn2c1=O
InChIInChI=1S/C12H11N3O/c1-3-10-8(2)14-11-5-4-9(6-13)7-15(11)12(10)16/h4-5,7H,3H2,1-2H3
InChIKeyLOWVMOAJOXTLEA-UHFFFAOYSA-N
XLogP1.44
TPSA58.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one
CID 12527404
3-ethyl-2-methyl-7-nitropyrido[1,2-a]pyrimidin-4-one
CID 20568861
3-ethyl-2-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid
CID 154321070
2-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carbonitrile
CID 142656814
ethane;2-ethyl-4-oxopyrido[1,2-a]pyrimidine-7-carbonitrile
CID 144970394
ethyl 3-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanoate
CID 6622036
2,3-dibromoimidazo[1,2-a]pyridine-6-carbonitrile
CID 126524032
1,3-dimethylimidazo[1,5-a]pyridine-6-carbonitrile
CID 130067723
11-oxo-2-propan-2-yloxypyrido[2,1-b]quinazoline-8-carbonitrile
CID 13052297
3-(4,6-dimethylpyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile
CID 167775457
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylimidazo[1,2-a]pyridine-6-carbonitrile
CID 82060365
6-ethyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 114514317

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carbonitrile?
The IUPAC name of 3-ethyl-2-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carbonitrile (CID 150974917) is 3-ethyl-2-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carbonitrile.
What is the SMILES notation for 3-ethyl-2-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carbonitrile?
The canonical SMILES for 3-ethyl-2-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carbonitrile is CCc1c(C)nc2ccc(C#N)cn2c1=O.
What is the InChIKey of 3-ethyl-2-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carbonitrile?
The InChIKey is LOWVMOAJOXTLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O/c1-3-10-8(2)14-11-5-4-9(6-13)7-15(11)12(10)16/h4-5,7H,3H2,1-2H3.
What are the key properties of 3-ethyl-2-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carbonitrile?
3-ethyl-2-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carbonitrile has a molecular weight of 213.24 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carbonitrile is sourced from PubChem (CID 150974917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).