N-[2-(aminomethyl)-2-ethylbutyl]-6-methylpyridine-3-carboxamide

C14H23N3O — CID 114164010

IUPACN-[2-(aminomethyl)-2-ethylbutyl]-6-methylpyridine-3-carboxamide
SMILESCCC(CC)(CN)CNC(=O)c1ccc(C)nc1
InChIInChI=1S/C14H23N3O/c1-4-14(5-2,9-15)10-17-13(18)12-7-6-11(3)16-8-12/h6-8H,4-5,9-10,15H2,1-3H3,(H,17,18)
InChIKeyQWLCHYQZBDNZJW-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.88
Rot. Bonds6

About N-[2-(aminomethyl)-2-ethylbutyl]-6-methylpyridine-3-carboxamide

N-[2-(aminomethyl)-2-ethylbutyl]-6-methylpyridine-3-carboxamide (PubChem CID 114164010) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[2-(aminomethyl)-2-ethylbutyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)-2-ethylbutyl]-6-methylpyridine-3-carboxamide
PubChem CID114164010
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-[2-(aminomethyl)-2-ethylbutyl]-6-methylpyridine-3-carboxamide
SMILESCCC(CC)(CN)CNC(=O)c1ccc(C)nc1
InChIInChI=1S/C14H23N3O/c1-4-14(5-2,9-15)10-17-13(18)12-7-6-11(3)16-8-12/h6-8H,4-5,9-10,15H2,1-3H3,(H,17,18)
InChIKeyQWLCHYQZBDNZJW-UHFFFAOYSA-N
XLogP1.88
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-ethylbutyl)-6-methylpyridine-3-carboxamide;dihydrochloride
CID 119641996
6-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 10013611
2,2-dimethyl-3-[(6-methylpyridine-3-carbonyl)amino]propanoic acid
CID 81367392
N-[2-(aminomethyl)-2-ethylbutyl]-4-methoxybenzamide
CID 106250544
N-[2-(aminomethyl)-2-ethylbutyl]-3,4-dimethoxybenzamide
CID 106250783
N-[2-(aminomethyl)-2-ethylbutyl]-4-fluoro-3-methylbenzamide
CID 106250501
6-methyl-N-[3-[(6-methylpyridine-3-carbonyl)amino]propyl]pyridine-3-carboxamide
CID 3159007
N-(2-ethylbutyl)-6-methylpyridine-3-carboxamide
CID 115612931
N-[1-(aminomethyl)cyclopentyl]-6-methylpyridine-3-carboxamide
CID 63753423
6-methyl-N-[2-(methylamino)ethyl]pyridine-3-carboxamide
CID 62657976
N-[1-(aminomethyl)cyclohexyl]-6-methylpyridine-3-carboxamide
CID 63755844
N-[2-(aminomethyl)-2-ethylbutyl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 106249948

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)-2-ethylbutyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[2-(aminomethyl)-2-ethylbutyl]-6-methylpyridine-3-carboxamide (CID 114164010) is N-[2-(aminomethyl)-2-ethylbutyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)-2-ethylbutyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)-2-ethylbutyl]-6-methylpyridine-3-carboxamide is CCC(CC)(CN)CNC(=O)c1ccc(C)nc1.
What is the InChIKey of N-[2-(aminomethyl)-2-ethylbutyl]-6-methylpyridine-3-carboxamide?
The InChIKey is QWLCHYQZBDNZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-14(5-2,9-15)10-17-13(18)12-7-6-11(3)16-8-12/h6-8H,4-5,9-10,15H2,1-3H3,(H,17,18).
What are the key properties of N-[2-(aminomethyl)-2-ethylbutyl]-6-methylpyridine-3-carboxamide?
N-[2-(aminomethyl)-2-ethylbutyl]-6-methylpyridine-3-carboxamide has a molecular weight of 249.36 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)-2-ethylbutyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 114164010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).