2-(aminomethyl)-N-hexyl-N-(2-hydroxyethyl)pyridine-4-carboxamide

C15H25N3O2 — CID 114326080

IUPAC2-(aminomethyl)-N-hexyl-N-(2-hydroxyethyl)pyridine-4-carboxamide
SMILESCCCCCCN(CCO)C(=O)c1ccnc(CN)c1
InChIInChI=1S/C15H25N3O2/c1-2-3-4-5-8-18(9-10-19)15(20)13-6-7-17-14(11-13)12-16/h6-7,11,19H,2-5,8-10,12,16H2,1H3
InChIKeyFCAFIPRTUMCXLG-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.56
Rot. Bonds9

About 2-(aminomethyl)-N-hexyl-N-(2-hydroxyethyl)pyridine-4-carboxamide

2-(aminomethyl)-N-hexyl-N-(2-hydroxyethyl)pyridine-4-carboxamide (PubChem CID 114326080) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-(aminomethyl)-N-hexyl-N-(2-hydroxyethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-hexyl-N-(2-hydroxyethyl)pyridine-4-carboxamide
PubChem CID114326080
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name2-(aminomethyl)-N-hexyl-N-(2-hydroxyethyl)pyridine-4-carboxamide
SMILESCCCCCCN(CCO)C(=O)c1ccnc(CN)c1
InChIInChI=1S/C15H25N3O2/c1-2-3-4-5-8-18(9-10-19)15(20)13-6-7-17-14(11-13)12-16/h6-7,11,19H,2-5,8-10,12,16H2,1H3
InChIKeyFCAFIPRTUMCXLG-UHFFFAOYSA-N
XLogP1.56
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(aminomethyl)-N,N-dipropylpyridine-4-carboxamide
CID 113277709
N-butyl-N-(2-hydroxyethyl)-2-methylpyridine-4-carboxamide
CID 106753379
2-chloro-N,N-dipentylpyridine-4-carboxamide
CID 60776125
2-(aminomethyl)-N,N-bis(2-methoxyethyl)pyridine-4-carboxamide
CID 114325701
N-hexyl-N-(2-hydroxyethyl)benzamide
CID 61215400
octyl 2-(aminomethyl)pyridine-4-carboxylate
CID 114325028
2,6-dichloro-N-hexyl-N-(2-hydroxyethyl)pyridine-4-carboxamide
CID 61052289
6-fluoro-N-hexyl-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 63979343
2-(aminomethyl)-N-(3-hydroxypropyl)-N-propan-2-ylpyridine-4-carboxamide
CID 114326149
4-amino-3,5-dichloro-N-hexyl-N-(2-hydroxyethyl)benzamide
CID 82812492
2-(aminomethyl)-N-cyclopropyl-N-propylpyridine-4-carboxamide
CID 113277725
4-amino-N-butyl-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 62160207

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-hexyl-N-(2-hydroxyethyl)pyridine-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-hexyl-N-(2-hydroxyethyl)pyridine-4-carboxamide (CID 114326080) is 2-(aminomethyl)-N-hexyl-N-(2-hydroxyethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-hexyl-N-(2-hydroxyethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-hexyl-N-(2-hydroxyethyl)pyridine-4-carboxamide is CCCCCCN(CCO)C(=O)c1ccnc(CN)c1.
What is the InChIKey of 2-(aminomethyl)-N-hexyl-N-(2-hydroxyethyl)pyridine-4-carboxamide?
The InChIKey is FCAFIPRTUMCXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-2-3-4-5-8-18(9-10-19)15(20)13-6-7-17-14(11-13)12-16/h6-7,11,19H,2-5,8-10,12,16H2,1H3.
What are the key properties of 2-(aminomethyl)-N-hexyl-N-(2-hydroxyethyl)pyridine-4-carboxamide?
2-(aminomethyl)-N-hexyl-N-(2-hydroxyethyl)pyridine-4-carboxamide has a molecular weight of 279.38 g/mol, XLogP of 1.56, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-hexyl-N-(2-hydroxyethyl)pyridine-4-carboxamide is sourced from PubChem (CID 114326080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).