6-amino-1-butyl-4-methyl-2-oxopyridine-3-carbonitrile

C11H15N3O — CID 4557970

IUPAC6-amino-1-butyl-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCCCCn1c(N)cc(C)c(C#N)c1=O
InChIInChI=1S/C11H15N3O/c1-3-4-5-14-10(13)6-8(2)9(7-12)11(14)15/h6H,3-5,13H2,1-2H3
InChIKeyJMIGFBRFWIFREJ-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.41
Rot. Bonds3

About 6-amino-1-butyl-4-methyl-2-oxopyridine-3-carbonitrile

6-amino-1-butyl-4-methyl-2-oxopyridine-3-carbonitrile (PubChem CID 4557970) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 6-amino-1-butyl-4-methyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name6-amino-1-butyl-4-methyl-2-oxopyridine-3-carbonitrile
PubChem CID4557970
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name6-amino-1-butyl-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCCCCn1c(N)cc(C)c(C#N)c1=O
InChIInChI=1S/C11H15N3O/c1-3-4-5-14-10(13)6-8(2)9(7-12)11(14)15/h6H,3-5,13H2,1-2H3
InChIKeyJMIGFBRFWIFREJ-UHFFFAOYSA-N
XLogP1.41
TPSA71.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-hydroxypropyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 3148839
4-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)butanoic acid
CID 84616792
4-methyl-2-oxo-1-propylpyridine-3-carbonitrile
CID 82111413
3-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)propanamide
CID 84614937
2-amino-4-butyl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 130154781
4,6-dimethyl-2-oxo-1-(3-oxobutyl)pyridine-3-carbonitrile
CID 84614931
3-amino-2-pentylisoquinolin-1-one
CID 43162648
4-amino-1-butyl-5-chloropyrrole-2-carbonitrile
CID 100775495
6-amino-1-butyl-2-oxo-4-phenylpyrimidine-5-carbonitrile
CID 101421017
1-[4-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]butyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 172640949
1-butyl-6-(2,5-dimethylphenyl)-2-oxopyridine-3-carbonitrile
CID 82519838
1-(3-amino-4-methylphenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 57315076

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-butyl-4-methyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 6-amino-1-butyl-4-methyl-2-oxopyridine-3-carbonitrile (CID 4557970) is 6-amino-1-butyl-4-methyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 6-amino-1-butyl-4-methyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 6-amino-1-butyl-4-methyl-2-oxopyridine-3-carbonitrile is CCCCn1c(N)cc(C)c(C#N)c1=O.
What is the InChIKey of 6-amino-1-butyl-4-methyl-2-oxopyridine-3-carbonitrile?
The InChIKey is JMIGFBRFWIFREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-3-4-5-14-10(13)6-8(2)9(7-12)11(14)15/h6H,3-5,13H2,1-2H3.
What are the key properties of 6-amino-1-butyl-4-methyl-2-oxopyridine-3-carbonitrile?
6-amino-1-butyl-4-methyl-2-oxopyridine-3-carbonitrile has a molecular weight of 205.26 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-butyl-4-methyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 4557970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).