2-(aminomethyl)-N-[(1-methylcyclobutyl)methyl]pyridine-4-carboxamide

C13H19N3O — CID 104844550

IUPAC2-(aminomethyl)-N-[(1-methylcyclobutyl)methyl]pyridine-4-carboxamide
SMILESCC1(CNC(=O)c2ccnc(CN)c2)CCC1
InChIInChI=1S/C13H19N3O/c1-13(4-2-5-13)9-16-12(17)10-3-6-15-11(7-10)8-14/h3,6-7H,2,4-5,8-9,14H2,1H3,(H,16,17)
InChIKeyXKJJGDOVXJPXMJ-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.46
Rot. Bonds4

About 2-(aminomethyl)-N-[(1-methylcyclobutyl)methyl]pyridine-4-carboxamide

2-(aminomethyl)-N-[(1-methylcyclobutyl)methyl]pyridine-4-carboxamide (PubChem CID 104844550) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(1-methylcyclobutyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(1-methylcyclobutyl)methyl]pyridine-4-carboxamide
PubChem CID104844550
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-(aminomethyl)-N-[(1-methylcyclobutyl)methyl]pyridine-4-carboxamide
SMILESCC1(CNC(=O)c2ccnc(CN)c2)CCC1
InChIInChI=1S/C13H19N3O/c1-13(4-2-5-13)9-16-12(17)10-3-6-15-11(7-10)8-14/h3,6-7H,2,4-5,8-9,14H2,1H3,(H,16,17)
InChIKeyXKJJGDOVXJPXMJ-UHFFFAOYSA-N
XLogP1.46
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-[(1-hydroxycyclopentyl)methyl]pyridine-4-carboxamide
CID 114326678
1-[[[2-(aminomethyl)pyridine-4-carbonyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115433612
N-(2-aminoethyl)-2-(aminomethyl)pyridine-4-carboxamide
CID 114326296
2-(aminomethyl)-N-(2-methylsulfanylethyl)pyridine-4-carboxamide
CID 114326601
2-(aminomethyl)-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide
CID 107418474
2-(aminomethyl)-N-(2-ethyl-2-hydroxybutyl)pyridine-4-carboxamide
CID 114326677
3-amino-N-[(1-methylcyclohexyl)methyl]benzamide
CID 103813013
2-(aminomethyl)-N-(2-methylsulfonylethyl)pyridine-4-carboxamide
CID 114325900
2-chloro-N-[(1-ethylcyclobutyl)methyl]pyridine-4-carboxamide
CID 103741389
2-(aminomethyl)-N-pent-4-ynylpyridine-4-carboxamide
CID 104860710
5-[(1-methylcyclobutyl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 103738125
2-(aminomethyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-4-carboxamide
CID 114325905

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(1-methylcyclobutyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[(1-methylcyclobutyl)methyl]pyridine-4-carboxamide (CID 104844550) is 2-(aminomethyl)-N-[(1-methylcyclobutyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(1-methylcyclobutyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[(1-methylcyclobutyl)methyl]pyridine-4-carboxamide is CC1(CNC(=O)c2ccnc(CN)c2)CCC1.
What is the InChIKey of 2-(aminomethyl)-N-[(1-methylcyclobutyl)methyl]pyridine-4-carboxamide?
The InChIKey is XKJJGDOVXJPXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-13(4-2-5-13)9-16-12(17)10-3-6-15-11(7-10)8-14/h3,6-7H,2,4-5,8-9,14H2,1H3,(H,16,17).
What are the key properties of 2-(aminomethyl)-N-[(1-methylcyclobutyl)methyl]pyridine-4-carboxamide?
2-(aminomethyl)-N-[(1-methylcyclobutyl)methyl]pyridine-4-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(1-methylcyclobutyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 104844550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).