1-[3-(dimethylamino)propyl]-6-methyl-2-oxopyridine-3-carbonitrile

C12H17N3O — CID 82099513

IUPAC1-[3-(dimethylamino)propyl]-6-methyl-2-oxopyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(=O)n1CCCN(C)C
InChIInChI=1S/C12H17N3O/c1-10-5-6-11(9-13)12(16)15(10)8-4-7-14(2)3/h5-6H,4,7-8H2,1-3H3
InChIKeyPPAYUEVDQSZRRR-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.98
Rot. Bonds4

About 1-[3-(dimethylamino)propyl]-6-methyl-2-oxopyridine-3-carbonitrile

1-[3-(dimethylamino)propyl]-6-methyl-2-oxopyridine-3-carbonitrile (PubChem CID 82099513) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-6-methyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-6-methyl-2-oxopyridine-3-carbonitrile
PubChem CID82099513
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name1-[3-(dimethylamino)propyl]-6-methyl-2-oxopyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(=O)n1CCCN(C)C
InChIInChI=1S/C12H17N3O/c1-10-5-6-11(9-13)12(16)15(10)8-4-7-14(2)3/h5-6H,4,7-8H2,1-3H3
InChIKeyPPAYUEVDQSZRRR-UHFFFAOYSA-N
XLogP0.98
TPSA49.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-2-oxo-1-(3-sulfanylpropyl)pyridine-3-carbonitrile
CID 130561478
6-methyl-1-(3-methylsulfanylpropyl)-2-oxopyridine-3-carbonitrile
CID 107072997
5-(3-cyano-6-methyl-2-oxo-1-pyridinyl)pentanoic acid
CID 82147473
1-[2-(dimethylamino)ethyl]-2-oxo-6-phenylpyridine-3-carbonitrile
CID 82099044
2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)-N-methyl-N-propan-2-ylacetamide
CID 107072952
6-methyl-1-[2-(2-methylpropoxy)ethyl]-2-oxopyridine-3-carbonitrile
CID 107073006
1-(2-amino-2-methylpropyl)-6-methyl-2-oxopyridine-3-carbonitrile
CID 82146932
6-methyl-1-(3-methylbut-2-enyl)-2-oxopyridine-3-carbonitrile
CID 107072857
1-[2-(dimethylamino)ethyl]-6-(3,4-dimethylphenyl)-2-oxopyridine-3-carbonitrile
CID 82099097
1-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-oxopyridine-3-carbonitrile
CID 82099479
1-[(4-chlorophenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile
CID 82099441
1-[2-(4-bromophenoxy)ethyl]-6-methyl-2-oxopyridine-3-carbonitrile
CID 107072852

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-6-methyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-[3-(dimethylamino)propyl]-6-methyl-2-oxopyridine-3-carbonitrile (CID 82099513) is 1-[3-(dimethylamino)propyl]-6-methyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-6-methyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-6-methyl-2-oxopyridine-3-carbonitrile is Cc1ccc(C#N)c(=O)n1CCCN(C)C.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-6-methyl-2-oxopyridine-3-carbonitrile?
The InChIKey is PPAYUEVDQSZRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-10-5-6-11(9-13)12(16)15(10)8-4-7-14(2)3/h5-6H,4,7-8H2,1-3H3.
What are the key properties of 1-[3-(dimethylamino)propyl]-6-methyl-2-oxopyridine-3-carbonitrile?
1-[3-(dimethylamino)propyl]-6-methyl-2-oxopyridine-3-carbonitrile has a molecular weight of 219.29 g/mol, XLogP of 0.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-6-methyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 82099513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).