1-amino-5-ethyl-4,6-dimethyl-2-oxopyridine-3-carbonitrile

C10H13N3O — CID 14922003

IUPAC1-amino-5-ethyl-4,6-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCCc1c(C)c(C#N)c(=O)n(N)c1C
InChIInChI=1S/C10H13N3O/c1-4-8-6(2)9(5-11)10(14)13(12)7(8)3/h4,12H2,1-3H3
InChIKeyVPWFOQYNMNCASW-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.61
Rot. Bonds1

About 1-amino-5-ethyl-4,6-dimethyl-2-oxopyridine-3-carbonitrile

1-amino-5-ethyl-4,6-dimethyl-2-oxopyridine-3-carbonitrile (PubChem CID 14922003) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 1-amino-5-ethyl-4,6-dimethyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-amino-5-ethyl-4,6-dimethyl-2-oxopyridine-3-carbonitrile
PubChem CID14922003
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name1-amino-5-ethyl-4,6-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCCc1c(C)c(C#N)c(=O)n(N)c1C
InChIInChI=1S/C10H13N3O/c1-4-8-6(2)9(5-11)10(14)13(12)7(8)3/h4,12H2,1-3H3
InChIKeyVPWFOQYNMNCASW-UHFFFAOYSA-N
XLogP0.61
TPSA71.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-5-ethyl-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-amino-5-ethyl-4,6-dimethyl-2-oxopyridine-3-carbonitrile (CID 14922003) is 1-amino-5-ethyl-4,6-dimethyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-amino-5-ethyl-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-amino-5-ethyl-4,6-dimethyl-2-oxopyridine-3-carbonitrile is CCc1c(C)c(C#N)c(=O)n(N)c1C.
What is the InChIKey of 1-amino-5-ethyl-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
The InChIKey is VPWFOQYNMNCASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-4-8-6(2)9(5-11)10(14)13(12)7(8)3/h4,12H2,1-3H3.
What are the key properties of 1-amino-5-ethyl-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
1-amino-5-ethyl-4,6-dimethyl-2-oxopyridine-3-carbonitrile has a molecular weight of 191.23 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5-ethyl-4,6-dimethyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 14922003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).