2-(aminomethyl)-N-(2-ethyl-2-hydroxybutyl)pyridine-4-carboxamide

C13H21N3O2 — CID 114326677

IUPAC2-(aminomethyl)-N-(2-ethyl-2-hydroxybutyl)pyridine-4-carboxamide
SMILESCCC(O)(CC)CNC(=O)c1ccnc(CN)c1
InChIInChI=1S/C13H21N3O2/c1-3-13(18,4-2)9-16-12(17)10-5-6-15-11(7-10)8-14/h5-7,18H,3-4,8-9,14H2,1-2H3,(H,16,17)
InChIKeyKWNUGAFKSWCSOB-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.82
Rot. Bonds6

About 2-(aminomethyl)-N-(2-ethyl-2-hydroxybutyl)pyridine-4-carboxamide

2-(aminomethyl)-N-(2-ethyl-2-hydroxybutyl)pyridine-4-carboxamide (PubChem CID 114326677) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-ethyl-2-hydroxybutyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-ethyl-2-hydroxybutyl)pyridine-4-carboxamide
PubChem CID114326677
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-(aminomethyl)-N-(2-ethyl-2-hydroxybutyl)pyridine-4-carboxamide
SMILESCCC(O)(CC)CNC(=O)c1ccnc(CN)c1
InChIInChI=1S/C13H21N3O2/c1-3-13(18,4-2)9-16-12(17)10-5-6-15-11(7-10)8-14/h5-7,18H,3-4,8-9,14H2,1-2H3,(H,16,17)
InChIKeyKWNUGAFKSWCSOB-UHFFFAOYSA-N
XLogP0.82
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethyl-2-hydroxybutyl)-2-methylpyridine-4-carboxamide
CID 106753405
N-(2-ethyl-2-hydroxypentyl)-2-fluoropyridine-4-carboxamide
CID 144683885
N-(2-aminoethyl)-2-(aminomethyl)pyridine-4-carboxamide
CID 114326296
2-(aminomethyl)-N-(2-methylsulfonylethyl)pyridine-4-carboxamide
CID 114325900
2-(aminomethyl)-N-(2-methylsulfanylethyl)pyridine-4-carboxamide
CID 114326601
2-(aminomethyl)-N-(2-ethylsulfinylethyl)pyridine-4-carboxamide
CID 104844461
2-(aminomethyl)-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-4-carboxamide
CID 82738139
3-N-(2-ethyl-2-hydroxybutyl)-1-N-methylbenzene-1,3-dicarboxamide
CID 111483358
N-(2-hydroxy-2-methylbutyl)-2-methylpyridine-4-carboxamide
CID 106753404
2-(aminomethyl)-N-(2-hydroxy-4-methylpentyl)pyridine-4-carboxamide
CID 104844539
2-(aminomethyl)-N-[(1-methylcyclobutyl)methyl]pyridine-4-carboxamide
CID 104844550
2-(aminomethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-4-carboxamide
CID 113277766

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-ethyl-2-hydroxybutyl)pyridine-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(2-ethyl-2-hydroxybutyl)pyridine-4-carboxamide (CID 114326677) is 2-(aminomethyl)-N-(2-ethyl-2-hydroxybutyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2-ethyl-2-hydroxybutyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(2-ethyl-2-hydroxybutyl)pyridine-4-carboxamide is CCC(O)(CC)CNC(=O)c1ccnc(CN)c1.
What is the InChIKey of 2-(aminomethyl)-N-(2-ethyl-2-hydroxybutyl)pyridine-4-carboxamide?
The InChIKey is KWNUGAFKSWCSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-13(18,4-2)9-16-12(17)10-5-6-15-11(7-10)8-14/h5-7,18H,3-4,8-9,14H2,1-2H3,(H,16,17).
What are the key properties of 2-(aminomethyl)-N-(2-ethyl-2-hydroxybutyl)pyridine-4-carboxamide?
2-(aminomethyl)-N-(2-ethyl-2-hydroxybutyl)pyridine-4-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 0.82, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2-ethyl-2-hydroxybutyl)pyridine-4-carboxamide is sourced from PubChem (CID 114326677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).