5-acetyl-6-methyl-2-(prop-2-enylamino)pyridine-3-carbonitrile

C12H13N3O — CID 2767395

IUPAC5-acetyl-6-methyl-2-(prop-2-enylamino)pyridine-3-carbonitrile
SMILESC=CCNc1nc(C)c(C(C)=O)cc1C#N
InChIInChI=1S/C12H13N3O/c1-4-5-14-12-10(7-13)6-11(9(3)16)8(2)15-12/h4,6H,1,5H2,2-3H3,(H,14,15)
InChIKeyNQVSFGBLPRFADC-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.06
Rot. Bonds4

About 5-acetyl-6-methyl-2-(prop-2-enylamino)pyridine-3-carbonitrile

5-acetyl-6-methyl-2-(prop-2-enylamino)pyridine-3-carbonitrile (PubChem CID 2767395) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 5-acetyl-6-methyl-2-(prop-2-enylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-acetyl-6-methyl-2-(prop-2-enylamino)pyridine-3-carbonitrile
PubChem CID2767395
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name5-acetyl-6-methyl-2-(prop-2-enylamino)pyridine-3-carbonitrile
SMILESC=CCNc1nc(C)c(C(C)=O)cc1C#N
InChIInChI=1S/C12H13N3O/c1-4-5-14-12-10(7-13)6-11(9(3)16)8(2)15-12/h4,6H,1,5H2,2-3H3,(H,14,15)
InChIKeyNQVSFGBLPRFADC-UHFFFAOYSA-N
XLogP2.06
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

7-Dimethylamino-2-phenyl-[1,8]naphthyridin-4-ol
CID 10378184
2,6-Bis(tert-butylamino)-4-methylpyridin-3-yl methyl ketone
CID 94005
1,8-Naphthyridin-4-ol, 7-methyl-2-propyl-
CID 13155595
7-Amino-2-phenyl-[1,8]naphthyridin-4-ol
CID 14686958
5-Acetyl-6-methyl-2-(1-pyrrolidinyl)nicotinonitrile
CID 1471733
2-Phenyl-7-methyl-1,8-naphthyridine-4-ol
CID 5467768
2-(3-fluorophenyl)-7-methyl-1,8-naphthyridin-4(1H)-one
CID 5468784
2-(4-Fluorophenyl)-7-methyl-1,8-naphthyridin-4-ol
CID 5468910
2-Cyclopentylamino-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-quinoline-3-carbonitrile
CID 24777314
7-Methyl-1,8-naphthyridin-4(1H)-one
CID 5373676
3-Benzyl-7-methyl-[1,8]naphthyridin-4-ol
CID 15557795
5-Acetyl-2-methyl-6-(methylamino)nicotinonitrile
CID 658579

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-6-methyl-2-(prop-2-enylamino)pyridine-3-carbonitrile?
The IUPAC name of 5-acetyl-6-methyl-2-(prop-2-enylamino)pyridine-3-carbonitrile (CID 2767395) is 5-acetyl-6-methyl-2-(prop-2-enylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 5-acetyl-6-methyl-2-(prop-2-enylamino)pyridine-3-carbonitrile?
The canonical SMILES for 5-acetyl-6-methyl-2-(prop-2-enylamino)pyridine-3-carbonitrile is C=CCNc1nc(C)c(C(C)=O)cc1C#N.
What is the InChIKey of 5-acetyl-6-methyl-2-(prop-2-enylamino)pyridine-3-carbonitrile?
The InChIKey is NQVSFGBLPRFADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-4-5-14-12-10(7-13)6-11(9(3)16)8(2)15-12/h4,6H,1,5H2,2-3H3,(H,14,15).
What are the key properties of 5-acetyl-6-methyl-2-(prop-2-enylamino)pyridine-3-carbonitrile?
5-acetyl-6-methyl-2-(prop-2-enylamino)pyridine-3-carbonitrile has a molecular weight of 215.26 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-6-methyl-2-(prop-2-enylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 2767395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).