2-(3-aminopiperidin-1-yl)-5,6-dimethylpyridine-3-carboxamide;dihydrochloride

C13H22Cl2N4O — CID 154907806

IUPAC2-(3-aminopiperidin-1-yl)-5,6-dimethylpyridine-3-carboxamide;dihydrochloride
SMILESCc1cc(C(N)=O)c(N2CCCC(N)C2)nc1C.Cl.Cl
InChIInChI=1S/C13H20N4O.2ClH/c1-8-6-11(12(15)18)13(16-9(8)2)17-5-3-4-10(14)7-17;;/h6,10H,3-5,7,14H2,1-2H3,(H2,15,18);2*1H
InChIKeyONTDKUHQIDQPAI-UHFFFAOYSA-N
MW321.25 g/mol
LogP1.57
Rot. Bonds2

About 2-(3-aminopiperidin-1-yl)-5,6-dimethylpyridine-3-carboxamide;dihydrochloride

2-(3-aminopiperidin-1-yl)-5,6-dimethylpyridine-3-carboxamide;dihydrochloride (PubChem CID 154907806) has the molecular formula C13H22Cl2N4O and a molecular weight of 321.25 g/mol. Its IUPAC name is 2-(3-aminopiperidin-1-yl)-5,6-dimethylpyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-(3-aminopiperidin-1-yl)-5,6-dimethylpyridine-3-carboxamide;dihydrochloride
PubChem CID154907806
Molecular FormulaC13H22Cl2N4O
Molecular Weight321.25 g/mol
Exact Mass320.12
IUPAC Name2-(3-aminopiperidin-1-yl)-5,6-dimethylpyridine-3-carboxamide;dihydrochloride
SMILESCc1cc(C(N)=O)c(N2CCCC(N)C2)nc1C.Cl.Cl
InChIInChI=1S/C13H20N4O.2ClH/c1-8-6-11(12(15)18)13(16-9(8)2)17-5-3-4-10(14)7-17;;/h6,10H,3-5,7,14H2,1-2H3,(H2,15,18);2*1H
InChIKeyONTDKUHQIDQPAI-UHFFFAOYSA-N
XLogP1.57
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.25
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3R)-3-aminopiperidin-1-yl]-5,6-dimethylpyridine-3-carboxamide
CID 125436762
2-[(3aS,7aR)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-5,6-dimethylpyridine-3-carboxamide
CID 135100714
5,6-dimethyl-2-(3-methyl-4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 131924706
5,6-dimethyl-2-[(1S,6R)-3-methyl-3,9-diazabicyclo[4.2.1]nonan-9-yl]pyridine-3-carboxamide
CID 135088257
5,6-dimethyl-2-[4-(oxan-4-yl)piperazin-1-yl]pyridine-3-carboxamide
CID 135104841
2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-5,6-dimethylpyridine-3-carboxamide
CID 134704499
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
6-methyl-2-[3-(methylamino)piperidin-1-yl]pyridine-3-carboxamide
CID 55086445
2-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-5,6-dimethylpyridine-3-carboxamide
CID 135101015
2-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-5,6-dimethylpyridine-3-carboxylic acid
CID 134704630
methyl 6-[(3R)-3-aminopiperidin-1-yl]-2-methylpyridine-3-carboxylate
CID 102986351

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopiperidin-1-yl)-5,6-dimethylpyridine-3-carboxamide;dihydrochloride?
The IUPAC name of 2-(3-aminopiperidin-1-yl)-5,6-dimethylpyridine-3-carboxamide;dihydrochloride (CID 154907806) is 2-(3-aminopiperidin-1-yl)-5,6-dimethylpyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for 2-(3-aminopiperidin-1-yl)-5,6-dimethylpyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for 2-(3-aminopiperidin-1-yl)-5,6-dimethylpyridine-3-carboxamide;dihydrochloride is Cc1cc(C(N)=O)c(N2CCCC(N)C2)nc1C.Cl.Cl.
What is the InChIKey of 2-(3-aminopiperidin-1-yl)-5,6-dimethylpyridine-3-carboxamide;dihydrochloride?
The InChIKey is ONTDKUHQIDQPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O.2ClH/c1-8-6-11(12(15)18)13(16-9(8)2)17-5-3-4-10(14)7-17;;/h6,10H,3-5,7,14H2,1-2H3,(H2,15,18);2*1H.
What are the key properties of 2-(3-aminopiperidin-1-yl)-5,6-dimethylpyridine-3-carboxamide;dihydrochloride?
2-(3-aminopiperidin-1-yl)-5,6-dimethylpyridine-3-carboxamide;dihydrochloride has a molecular weight of 321.25 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopiperidin-1-yl)-5,6-dimethylpyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 154907806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).