5,6-dimethyl-2-(3-methyl-4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxamide

C16H26N4O — CID 131924706

IUPAC5,6-dimethyl-2-(3-methyl-4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCc1cc(C(N)=O)c(N2CCN(C(C)C)C(C)C2)nc1C
InChIInChI=1S/C16H26N4O/c1-10(2)20-7-6-19(9-12(20)4)16-14(15(17)21)8-11(3)13(5)18-16/h8,10,12H,6-7,9H2,1-5H3,(H2,17,21)
InChIKeyINXQZLFGRITBQQ-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.72
Rot. Bonds3

About 5,6-dimethyl-2-(3-methyl-4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxamide

5,6-dimethyl-2-(3-methyl-4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxamide (PubChem CID 131924706) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 5,6-dimethyl-2-(3-methyl-4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dimethyl-2-(3-methyl-4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxamide
PubChem CID131924706
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name5,6-dimethyl-2-(3-methyl-4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCc1cc(C(N)=O)c(N2CCN(C(C)C)C(C)C2)nc1C
InChIInChI=1S/C16H26N4O/c1-10(2)20-7-6-19(9-12(20)4)16-14(15(17)21)8-11(3)13(5)18-16/h8,10,12H,6-7,9H2,1-5H3,(H2,17,21)
InChIKeyINXQZLFGRITBQQ-UHFFFAOYSA-N
XLogP1.72
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3R)-3-aminopiperidin-1-yl]-5,6-dimethylpyridine-3-carboxamide
CID 125436762
2-(3-aminopiperidin-1-yl)-5,6-dimethylpyridine-3-carboxamide;dihydrochloride
CID 154907806
2-[(3aS,7aR)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-5,6-dimethylpyridine-3-carboxamide
CID 135100714
5,6-dimethyl-2-[4-(oxan-4-yl)piperazin-1-yl]pyridine-3-carboxamide
CID 135104841
2-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-5,6-dimethylpyridine-3-carboxamide
CID 135101015
2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-5,6-dimethylpyridine-3-carboxamide
CID 134704499
5,6-dimethyl-2-[(1S,6R)-3-methyl-3,9-diazabicyclo[4.2.1]nonan-9-yl]pyridine-3-carboxamide
CID 135088257
N-(1-aminoethyl)-2-[(3R)-3-hydroxypiperidin-1-yl]-5,6-dimethylpyridine-3-carboxamide
CID 139324383
2-[(3S)-3-carbamoyl-3-ethylpiperidin-1-yl]-5,6-dimethylpyridine-3-carboxamide
CID 164629272
5-bromo-2-(4,4-difluoropiperidin-1-yl)-6-methylpyridine-3-carboxamide
CID 146525770
2,5-dimethyl-6-piperazin-1-ylpyridine-3-carboxamide
CID 177356020
2-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-5,6-dimethylpyridine-3-carboxylic acid
CID 134704630

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-(3-methyl-4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxamide?
The IUPAC name of 5,6-dimethyl-2-(3-methyl-4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxamide (CID 131924706) is 5,6-dimethyl-2-(3-methyl-4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dimethyl-2-(3-methyl-4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for 5,6-dimethyl-2-(3-methyl-4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxamide is Cc1cc(C(N)=O)c(N2CCN(C(C)C)C(C)C2)nc1C.
What is the InChIKey of 5,6-dimethyl-2-(3-methyl-4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxamide?
The InChIKey is INXQZLFGRITBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-10(2)20-7-6-19(9-12(20)4)16-14(15(17)21)8-11(3)13(5)18-16/h8,10,12H,6-7,9H2,1-5H3,(H2,17,21).
What are the key properties of 5,6-dimethyl-2-(3-methyl-4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxamide?
5,6-dimethyl-2-(3-methyl-4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-(3-methyl-4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 131924706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).