ethane;N-(4-ethylpiperidin-4-yl)-3-methylpyridine-2-carboxamide

C16H27N3O — CID 162725478

IUPACethane;N-(4-ethylpiperidin-4-yl)-3-methylpyridine-2-carboxamide
SMILESCC.CCC1(NC(=O)c2ncccc2C)CCNCC1
InChIInChI=1S/C14H21N3O.C2H6/c1-3-14(6-9-15-10-7-14)17-13(18)12-11(2)5-4-8-16-12;1-2/h4-5,8,15H,3,6-7,9-10H2,1-2H3,(H,17,18);1-2H3
InChIKeyBCEDUGBZEDMAEP-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.68
Rot. Bonds3

About ethane;N-(4-ethylpiperidin-4-yl)-3-methylpyridine-2-carboxamide

ethane;N-(4-ethylpiperidin-4-yl)-3-methylpyridine-2-carboxamide (PubChem CID 162725478) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is ethane;N-(4-ethylpiperidin-4-yl)-3-methylpyridine-2-carboxamide.

Molecular Properties

Compound Nameethane;N-(4-ethylpiperidin-4-yl)-3-methylpyridine-2-carboxamide
PubChem CID162725478
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Nameethane;N-(4-ethylpiperidin-4-yl)-3-methylpyridine-2-carboxamide
SMILESCC.CCC1(NC(=O)c2ncccc2C)CCNCC1
InChIInChI=1S/C14H21N3O.C2H6/c1-3-14(6-9-15-10-7-14)17-13(18)12-11(2)5-4-8-16-12;1-2/h4-5,8,15H,3,6-7,9-10H2,1-2H3,(H,17,18);1-2H3
InChIKeyBCEDUGBZEDMAEP-UHFFFAOYSA-N
XLogP2.68
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(hydroxymethyl)cyclopropyl]-3-methylpyridine-2-carboxamide
CID 115877759
3-methyl-N-(3-methylpyrrolidin-3-yl)pyridine-2-carboxamide
CID 107422634
2-[1-[(3-methylpyridine-2-carbonyl)amino]cyclopentyl]acetic acid
CID 64671017
N-[4-(chloromethyl)oxan-4-yl]-3-methylpyridine-2-carboxamide
CID 114170454
3-hydroxy-N-(4-methylpiperidin-4-yl)pyridine-2-carboxamide
CID 114696622
1-[(3-methylpyridine-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 62338755
N-(1-carbamothioylcyclooctyl)-3-methylpyridine-2-carboxamide
CID 62340478
(4-ethylpiperidin-4-yl)carbamic acid
CID 141381339
N-(2-amino-2-ethylbutyl)-3-methylpyridine-2-carboxamide
CID 81483749
N-[(1-aminocyclohexyl)methyl]-3-methylpyridine-2-carboxamide
CID 119404249
N-(1-cyanocyclopentyl)-3-methylpyridine-2-carboxamide
CID 55059760
N-(2,2-difluoro-3-hydroxypropyl)-3-methylpyridine-2-carboxamide
CID 104857933

Frequently Asked Questions

What is the IUPAC name of ethane;N-(4-ethylpiperidin-4-yl)-3-methylpyridine-2-carboxamide?
The IUPAC name of ethane;N-(4-ethylpiperidin-4-yl)-3-methylpyridine-2-carboxamide (CID 162725478) is ethane;N-(4-ethylpiperidin-4-yl)-3-methylpyridine-2-carboxamide.
What is the SMILES notation for ethane;N-(4-ethylpiperidin-4-yl)-3-methylpyridine-2-carboxamide?
The canonical SMILES for ethane;N-(4-ethylpiperidin-4-yl)-3-methylpyridine-2-carboxamide is CC.CCC1(NC(=O)c2ncccc2C)CCNCC1.
What is the InChIKey of ethane;N-(4-ethylpiperidin-4-yl)-3-methylpyridine-2-carboxamide?
The InChIKey is BCEDUGBZEDMAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O.C2H6/c1-3-14(6-9-15-10-7-14)17-13(18)12-11(2)5-4-8-16-12;1-2/h4-5,8,15H,3,6-7,9-10H2,1-2H3,(H,17,18);1-2H3.
What are the key properties of ethane;N-(4-ethylpiperidin-4-yl)-3-methylpyridine-2-carboxamide?
ethane;N-(4-ethylpiperidin-4-yl)-3-methylpyridine-2-carboxamide has a molecular weight of 277.41 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(4-ethylpiperidin-4-yl)-3-methylpyridine-2-carboxamide is sourced from PubChem (CID 162725478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).