N-ethyl-6-[2-(3-methylbutyl)pyrrolidin-1-yl]pyridine-3-carboxamide

C17H27N3O — CID 133377027

IUPACN-ethyl-6-[2-(3-methylbutyl)pyrrolidin-1-yl]pyridine-3-carboxamide
SMILESCCNC(=O)c1ccc(N2CCCC2CCC(C)C)nc1
InChIInChI=1S/C17H27N3O/c1-4-18-17(21)14-8-10-16(19-12-14)20-11-5-6-15(20)9-7-13(2)3/h8,10,12-13,15H,4-7,9,11H2,1-3H3,(H,18,21)
InChIKeyYMPDBGVYQUQZMP-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.24
Rot. Bonds6

About N-ethyl-6-[2-(3-methylbutyl)pyrrolidin-1-yl]pyridine-3-carboxamide

N-ethyl-6-[2-(3-methylbutyl)pyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 133377027) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-ethyl-6-[2-(3-methylbutyl)pyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-[2-(3-methylbutyl)pyrrolidin-1-yl]pyridine-3-carboxamide
PubChem CID133377027
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-ethyl-6-[2-(3-methylbutyl)pyrrolidin-1-yl]pyridine-3-carboxamide
SMILESCCNC(=O)c1ccc(N2CCCC2CCC(C)C)nc1
InChIInChI=1S/C17H27N3O/c1-4-18-17(21)14-8-10-16(19-12-14)20-11-5-6-15(20)9-7-13(2)3/h8,10,12-13,15H,4-7,9,11H2,1-3H3,(H,18,21)
InChIKeyYMPDBGVYQUQZMP-UHFFFAOYSA-N
XLogP3.24
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-ethylpyrrolidin-1-yl)pyridine-3-carboxylic acid
CID 60974707
6-(2-ethylpiperidin-1-yl)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109153328
N-[(4-chlorophenyl)methyl]-6-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide
CID 109156994
6-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-ethylpyridine-3-carboxamide
CID 133345289
N-methyl-6-[2-(3-methylbutyl)piperidin-1-yl]pyridazine-3-carboxamide
CID 133364227
N-ethyl-6-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]pyridine-3-carboxamide
CID 133314214
6-(2-ethylpiperidin-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109161624
6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 129495333
N-[[1-(6-oxo-1-propan-2-ylpyridazin-3-yl)piperidin-2-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 126931000
N-[(1-ethylpyrrolidin-2-yl)methyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
CID 74246890
2-[1-(5-ethoxycarbonyl-2-pyridinyl)pyrrolidin-2-yl]acetic acid
CID 61370312
5-(2-ethylpiperidin-1-yl)-N-(3-methylbutyl)pyrazine-2-carboxamide
CID 109287769

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[2-(3-methylbutyl)pyrrolidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-ethyl-6-[2-(3-methylbutyl)pyrrolidin-1-yl]pyridine-3-carboxamide (CID 133377027) is N-ethyl-6-[2-(3-methylbutyl)pyrrolidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-6-[2-(3-methylbutyl)pyrrolidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-ethyl-6-[2-(3-methylbutyl)pyrrolidin-1-yl]pyridine-3-carboxamide is CCNC(=O)c1ccc(N2CCCC2CCC(C)C)nc1.
What is the InChIKey of N-ethyl-6-[2-(3-methylbutyl)pyrrolidin-1-yl]pyridine-3-carboxamide?
The InChIKey is YMPDBGVYQUQZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-4-18-17(21)14-8-10-16(19-12-14)20-11-5-6-15(20)9-7-13(2)3/h8,10,12-13,15H,4-7,9,11H2,1-3H3,(H,18,21).
What are the key properties of N-ethyl-6-[2-(3-methylbutyl)pyrrolidin-1-yl]pyridine-3-carboxamide?
N-ethyl-6-[2-(3-methylbutyl)pyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[2-(3-methylbutyl)pyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 133377027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).