2-(2-aminoethyl)-N-(2-cyclobutylethyl)-N-methylpyridine-4-carboxamide

C15H23N3O — CID 115116324

IUPAC2-(2-aminoethyl)-N-(2-cyclobutylethyl)-N-methylpyridine-4-carboxamide
SMILESCN(CCC1CCC1)C(=O)c1ccnc(CCN)c1
InChIInChI=1S/C15H23N3O/c1-18(10-7-12-3-2-4-12)15(19)13-6-9-17-14(11-13)5-8-16/h6,9,11-12H,2-5,7-8,10,16H2,1H3
InChIKeyLEBXJHDRBIKCFO-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.85
Rot. Bonds6

About 2-(2-aminoethyl)-N-(2-cyclobutylethyl)-N-methylpyridine-4-carboxamide

2-(2-aminoethyl)-N-(2-cyclobutylethyl)-N-methylpyridine-4-carboxamide (PubChem CID 115116324) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-(2-cyclobutylethyl)-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-(2-cyclobutylethyl)-N-methylpyridine-4-carboxamide
PubChem CID115116324
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-(2-aminoethyl)-N-(2-cyclobutylethyl)-N-methylpyridine-4-carboxamide
SMILESCN(CCC1CCC1)C(=O)c1ccnc(CCN)c1
InChIInChI=1S/C15H23N3O/c1-18(10-7-12-3-2-4-12)15(19)13-6-9-17-14(11-13)5-8-16/h6,9,11-12H,2-5,7-8,10,16H2,1H3
InChIKeyLEBXJHDRBIKCFO-UHFFFAOYSA-N
XLogP1.85
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-aminoethyl)-N-(2-cyclobutylethyl)pyridine-4-carboxamide
CID 115116320
2-(aminomethyl)-N-(cyclopentylmethyl)-N-methylpyridine-4-carboxamide
CID 114326567
2-cyano-N-(2-cyclopentylethyl)-N-methylpyridine-4-carboxamide
CID 115115937
4-amino-N-(2-cyclobutylethyl)-N-methylbenzamide
CID 115161061
2-[2-cyclopropylethyl(methyl)carbamoyl]pyridine-4-carboxylic acid
CID 122056277
2-(aminomethyl)-N-cyclohexyl-N-methylpyridine-4-carboxamide
CID 86223211
2-(2-aminoethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)pyridine-4-carboxamide
CID 115116311
3-amino-N-(2-cyclohexylethyl)-N-methylbenzamide
CID 115160809
2-(aminomethyl)-N-methyl-N-[3-(methylamino)propyl]pyridine-4-carboxamide
CID 114326834
4-cyano-N-(2-cyclopentylethyl)-N-methylpyridine-2-carboxamide
CID 115116934
2-(aminomethyl)-N-cyclopropyl-N-propylpyridine-4-carboxamide
CID 113277725
N-(2-aminoethyl)-N-cyclobutyl-2-methylpyridine-4-carboxamide
CID 106754373

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-(2-cyclobutylethyl)-N-methylpyridine-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-(2-cyclobutylethyl)-N-methylpyridine-4-carboxamide (CID 115116324) is 2-(2-aminoethyl)-N-(2-cyclobutylethyl)-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-(2-cyclobutylethyl)-N-methylpyridine-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-(2-cyclobutylethyl)-N-methylpyridine-4-carboxamide is CN(CCC1CCC1)C(=O)c1ccnc(CCN)c1.
What is the InChIKey of 2-(2-aminoethyl)-N-(2-cyclobutylethyl)-N-methylpyridine-4-carboxamide?
The InChIKey is LEBXJHDRBIKCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-18(10-7-12-3-2-4-12)15(19)13-6-9-17-14(11-13)5-8-16/h6,9,11-12H,2-5,7-8,10,16H2,1H3.
What are the key properties of 2-(2-aminoethyl)-N-(2-cyclobutylethyl)-N-methylpyridine-4-carboxamide?
2-(2-aminoethyl)-N-(2-cyclobutylethyl)-N-methylpyridine-4-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-(2-cyclobutylethyl)-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 115116324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).