2-(aminomethyl)-N-(2-hydroxy-4-methylpentyl)pyridine-4-carboxamide

C13H21N3O2 — CID 104844539

IUPAC2-(aminomethyl)-N-(2-hydroxy-4-methylpentyl)pyridine-4-carboxamide
SMILESCC(C)CC(O)CNC(=O)c1ccnc(CN)c1
InChIInChI=1S/C13H21N3O2/c1-9(2)5-12(17)8-16-13(18)10-3-4-15-11(6-10)7-14/h3-4,6,9,12,17H,5,7-8,14H2,1-2H3,(H,16,18)
InChIKeyTXDIWRSYAGOQEH-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.68
Rot. Bonds6

About 2-(aminomethyl)-N-(2-hydroxy-4-methylpentyl)pyridine-4-carboxamide

2-(aminomethyl)-N-(2-hydroxy-4-methylpentyl)pyridine-4-carboxamide (PubChem CID 104844539) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-hydroxy-4-methylpentyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-hydroxy-4-methylpentyl)pyridine-4-carboxamide
PubChem CID104844539
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-(aminomethyl)-N-(2-hydroxy-4-methylpentyl)pyridine-4-carboxamide
SMILESCC(C)CC(O)CNC(=O)c1ccnc(CN)c1
InChIInChI=1S/C13H21N3O2/c1-9(2)5-12(17)8-16-13(18)10-3-4-15-11(6-10)7-14/h3-4,6,9,12,17H,5,7-8,14H2,1-2H3,(H,16,18)
InChIKeyTXDIWRSYAGOQEH-UHFFFAOYSA-N
XLogP0.68
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 ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-(2-hydroxy-3-methoxypropyl)pyridine-4-carboxamide
CID 113277862
(3S)-3-[[[2-(aminomethyl)pyridine-4-carbonyl]amino]methyl]-5-methylhexanoic acid
CID 114326702
2-(aminomethyl)-N-(3,3-difluoro-2-hydroxypropyl)pyridine-4-carboxamide
CID 104844460
2-(aminomethyl)-N-(2-cyclopropyl-2-hydroxyethyl)pyridine-4-carboxamide
CID 114326553
N-(2-aminoethyl)-2-(aminomethyl)pyridine-4-carboxamide
CID 114326296
3-chloro-N-(2-hydroxy-4-methylpentyl)-4-methylbenzamide
CID 103770930
2-(aminomethyl)-N-(2-methylsulfanylethyl)pyridine-4-carboxamide
CID 114326601
6-(dimethylamino)-N-(2-hydroxy-4-methylpentyl)pyridine-3-carboxamide
CID 103771018
2-(aminomethyl)-N-(3-methylpentan-2-yl)pyridine-4-carboxamide
CID 114326347
2-(aminomethyl)-N-(2-methylsulfonylethyl)pyridine-4-carboxamide
CID 114325900
2-(aminomethyl)-N-(2-ethyl-2-hydroxybutyl)pyridine-4-carboxamide
CID 114326677
3,5-dichloro-N-(2-hydroxy-4-methylpentyl)benzamide
CID 103770831

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-hydroxy-4-methylpentyl)pyridine-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(2-hydroxy-4-methylpentyl)pyridine-4-carboxamide (CID 104844539) is 2-(aminomethyl)-N-(2-hydroxy-4-methylpentyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2-hydroxy-4-methylpentyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(2-hydroxy-4-methylpentyl)pyridine-4-carboxamide is CC(C)CC(O)CNC(=O)c1ccnc(CN)c1.
What is the InChIKey of 2-(aminomethyl)-N-(2-hydroxy-4-methylpentyl)pyridine-4-carboxamide?
The InChIKey is TXDIWRSYAGOQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9(2)5-12(17)8-16-13(18)10-3-4-15-11(6-10)7-14/h3-4,6,9,12,17H,5,7-8,14H2,1-2H3,(H,16,18).
What are the key properties of 2-(aminomethyl)-N-(2-hydroxy-4-methylpentyl)pyridine-4-carboxamide?
2-(aminomethyl)-N-(2-hydroxy-4-methylpentyl)pyridine-4-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 0.68, 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-hydroxy-4-methylpentyl)pyridine-4-carboxamide is sourced from PubChem (CID 104844539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).