5,6-dimethyl-2-[4-(oxan-4-yl)piperazin-1-yl]pyridine-3-carboxamide

C17H26N4O2 — CID 135104841

IUPAC5,6-dimethyl-2-[4-(oxan-4-yl)piperazin-1-yl]pyridine-3-carboxamide
SMILESCc1cc(C(N)=O)c(N2CCN(C3CCOCC3)CC2)nc1C
InChIInChI=1S/C17H26N4O2/c1-12-11-15(16(18)22)17(19-13(12)2)21-7-5-20(6-8-21)14-3-9-23-10-4-14/h11,14H,3-10H2,1-2H3,(H2,18,22)
InChIKeyJQNJFISBEIJAGP-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.10
Rot. Bonds3

About 5,6-dimethyl-2-[4-(oxan-4-yl)piperazin-1-yl]pyridine-3-carboxamide

5,6-dimethyl-2-[4-(oxan-4-yl)piperazin-1-yl]pyridine-3-carboxamide (PubChem CID 135104841) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 5,6-dimethyl-2-[4-(oxan-4-yl)piperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dimethyl-2-[4-(oxan-4-yl)piperazin-1-yl]pyridine-3-carboxamide
PubChem CID135104841
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name5,6-dimethyl-2-[4-(oxan-4-yl)piperazin-1-yl]pyridine-3-carboxamide
SMILESCc1cc(C(N)=O)c(N2CCN(C3CCOCC3)CC2)nc1C
InChIInChI=1S/C17H26N4O2/c1-12-11-15(16(18)22)17(19-13(12)2)21-7-5-20(6-8-21)14-3-9-23-10-4-14/h11,14H,3-10H2,1-2H3,(H2,18,22)
InChIKeyJQNJFISBEIJAGP-UHFFFAOYSA-N
XLogP1.10
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-(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
2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-5,6-dimethylpyridine-3-carboxamide
CID 134704499
(6S)-1-(4,6-dimethylpyrimidin-2-yl)-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide
CID 124942903
2-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-5,6-dimethylpyridine-3-carboxamide
CID 135101015
5-amino-2-(4-cyclopentylpiperazin-1-yl)pyridine-3-carboxamide
CID 62370258
2,5-dimethyl-6-piperazin-1-ylpyridine-3-carboxamide
CID 177356020
5,6-dimethyl-2-[[1-(thian-4-yl)piperidin-4-yl]amino]pyridine-3-carboxamide
CID 135117444
7-(oxan-4-yl)-2-pyrrolidin-1-yl-5,6,8,9-tetrahydropyrido[2,3-d]azepine-3-carboxylic acid
CID 97389803

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-[4-(oxan-4-yl)piperazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 5,6-dimethyl-2-[4-(oxan-4-yl)piperazin-1-yl]pyridine-3-carboxamide (CID 135104841) is 5,6-dimethyl-2-[4-(oxan-4-yl)piperazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dimethyl-2-[4-(oxan-4-yl)piperazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 5,6-dimethyl-2-[4-(oxan-4-yl)piperazin-1-yl]pyridine-3-carboxamide is Cc1cc(C(N)=O)c(N2CCN(C3CCOCC3)CC2)nc1C.
What is the InChIKey of 5,6-dimethyl-2-[4-(oxan-4-yl)piperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is JQNJFISBEIJAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-12-11-15(16(18)22)17(19-13(12)2)21-7-5-20(6-8-21)14-3-9-23-10-4-14/h11,14H,3-10H2,1-2H3,(H2,18,22).
What are the key properties of 5,6-dimethyl-2-[4-(oxan-4-yl)piperazin-1-yl]pyridine-3-carboxamide?
5,6-dimethyl-2-[4-(oxan-4-yl)piperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-[4-(oxan-4-yl)piperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 135104841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).