N-benzyl-5-(2-ethylpiperidin-1-yl)-N-methylpyridine-2-carboxamide

C21H27N3O — CID 109189130

IUPACN-benzyl-5-(2-ethylpiperidin-1-yl)-N-methylpyridine-2-carboxamide
SMILESCCC1CCCCN1c1ccc(C(=O)N(C)Cc2ccccc2)nc1
InChIInChI=1S/C21H27N3O/c1-3-18-11-7-8-14-24(18)19-12-13-20(22-15-19)21(25)23(2)16-17-9-5-4-6-10-17/h4-6,9-10,12-13,15,18H,3,7-8,11,14,16H2,1-2H3
InChIKeyCRMXUCJCXPLZOH-UHFFFAOYSA-N
MW337.47 g/mol
LogP4.12
Rot. Bonds5

About N-benzyl-5-(2-ethylpiperidin-1-yl)-N-methylpyridine-2-carboxamide

N-benzyl-5-(2-ethylpiperidin-1-yl)-N-methylpyridine-2-carboxamide (PubChem CID 109189130) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is N-benzyl-5-(2-ethylpiperidin-1-yl)-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(2-ethylpiperidin-1-yl)-N-methylpyridine-2-carboxamide
PubChem CID109189130
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC NameN-benzyl-5-(2-ethylpiperidin-1-yl)-N-methylpyridine-2-carboxamide
SMILESCCC1CCCCN1c1ccc(C(=O)N(C)Cc2ccccc2)nc1
InChIInChI=1S/C21H27N3O/c1-3-18-11-7-8-14-24(18)19-12-13-20(22-15-19)21(25)23(2)16-17-9-5-4-6-10-17/h4-6,9-10,12-13,15,18H,3,7-8,11,14,16H2,1-2H3
InChIKeyCRMXUCJCXPLZOH-UHFFFAOYSA-N
XLogP4.12
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-ethylazepan-1-yl)pyridine-2-carboxylic acid
CID 104690117
5-(2-ethylpiperidin-1-yl)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109194845
N-benzyl-5-(4-ethylpiperazin-1-yl)-N-methylpyridine-2-carboxamide
CID 109186763
5-(4-acetylpiperazin-1-yl)-N-benzyl-N-methylpyridine-2-carboxamide
CID 109187351
5-(2-ethylpiperidin-1-yl)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109191491
N-benzyl-4-(2-ethylpiperidin-1-yl)-N-propan-2-ylpyridine-2-carboxamide
CID 109217206
5-(2-ethylpiperidin-1-yl)-N-pentylpyridine-2-carboxamide
CID 109195721
N-benzyl-N-ethyl-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109258347
1-[5-(2-ethylpiperidin-1-yl)-2-pyridinyl]-3-phenylurea
CID 113030715
N-(4-chlorophenyl)-5-(2-ethylpiperidin-1-yl)pyridine-2-carboxamide
CID 109196262
5-(azepan-1-yl)-N-benzyl-N-methylpyrazine-2-carboxamide
CID 109281067
N-benzyl-N-ethyl-6-(2-ethylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109120599

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(2-ethylpiperidin-1-yl)-N-methylpyridine-2-carboxamide?
The IUPAC name of N-benzyl-5-(2-ethylpiperidin-1-yl)-N-methylpyridine-2-carboxamide (CID 109189130) is N-benzyl-5-(2-ethylpiperidin-1-yl)-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-benzyl-5-(2-ethylpiperidin-1-yl)-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-benzyl-5-(2-ethylpiperidin-1-yl)-N-methylpyridine-2-carboxamide is CCC1CCCCN1c1ccc(C(=O)N(C)Cc2ccccc2)nc1.
What is the InChIKey of N-benzyl-5-(2-ethylpiperidin-1-yl)-N-methylpyridine-2-carboxamide?
The InChIKey is CRMXUCJCXPLZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-3-18-11-7-8-14-24(18)19-12-13-20(22-15-19)21(25)23(2)16-17-9-5-4-6-10-17/h4-6,9-10,12-13,15,18H,3,7-8,11,14,16H2,1-2H3.
What are the key properties of N-benzyl-5-(2-ethylpiperidin-1-yl)-N-methylpyridine-2-carboxamide?
N-benzyl-5-(2-ethylpiperidin-1-yl)-N-methylpyridine-2-carboxamide has a molecular weight of 337.47 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(2-ethylpiperidin-1-yl)-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 109189130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).