4-amino-N-butyl-N-(2-hydroxyethyl)pyridine-2-carboxamide

C12H19N3O2 — CID 62160207

IUPAC4-amino-N-butyl-N-(2-hydroxyethyl)pyridine-2-carboxamide
SMILESCCCCN(CCO)C(=O)c1cc(N)ccn1
InChIInChI=1S/C12H19N3O2/c1-2-3-6-15(7-8-16)12(17)11-9-10(13)4-5-14-11/h4-5,9,16H,2-3,6-8H2,1H3,(H2,13,14)
InChIKeyIXSRSIZSWPVNHK-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.90
Rot. Bonds6

About 4-amino-N-butyl-N-(2-hydroxyethyl)pyridine-2-carboxamide

4-amino-N-butyl-N-(2-hydroxyethyl)pyridine-2-carboxamide (PubChem CID 62160207) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-amino-N-butyl-N-(2-hydroxyethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-butyl-N-(2-hydroxyethyl)pyridine-2-carboxamide
PubChem CID62160207
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-amino-N-butyl-N-(2-hydroxyethyl)pyridine-2-carboxamide
SMILESCCCCN(CCO)C(=O)c1cc(N)ccn1
InChIInChI=1S/C12H19N3O2/c1-2-3-6-15(7-8-16)12(17)11-9-10(13)4-5-14-11/h4-5,9,16H,2-3,6-8H2,1H3,(H2,13,14)
InChIKeyIXSRSIZSWPVNHK-UHFFFAOYSA-N
XLogP0.90
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-butyl-N-methylpyridine-2-carboxamide
CID 62153373
4-amino-N-butyl-N-phenylpyridine-2-carboxamide
CID 64586979
4-hydrazinyl-N-(2-hydroxyethyl)-N-propylpyridine-2-carboxamide
CID 62249260
N-butyl-N-(2-hydroxyethyl)-2-methylpyridine-4-carboxamide
CID 106753379
2-amino-N-butyl-3-fluoro-N-(2-hydroxyethyl)pyridine-4-carboxamide
CID 105385323
3-amino-N-butyl-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 104741624
4-amino-N-cyclopropyl-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 62186526
4-amino-N-butyl-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide
CID 61107667
1-amino-N-butyl-N-(2-hydroxyethyl)isoquinoline-3-carboxamide
CID 62160551
6-amino-N-butyl-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 62160208
2-(aminomethyl)-N-hexyl-N-(2-hydroxyethyl)pyridine-4-carboxamide
CID 114326080
4-[2-aminoethyl(butyl)amino]-N,N-diethylpyridine-2-carboxamide
CID 63764911

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-butyl-N-(2-hydroxyethyl)pyridine-2-carboxamide?
The IUPAC name of 4-amino-N-butyl-N-(2-hydroxyethyl)pyridine-2-carboxamide (CID 62160207) is 4-amino-N-butyl-N-(2-hydroxyethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-amino-N-butyl-N-(2-hydroxyethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-amino-N-butyl-N-(2-hydroxyethyl)pyridine-2-carboxamide is CCCCN(CCO)C(=O)c1cc(N)ccn1.
What is the InChIKey of 4-amino-N-butyl-N-(2-hydroxyethyl)pyridine-2-carboxamide?
The InChIKey is IXSRSIZSWPVNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-2-3-6-15(7-8-16)12(17)11-9-10(13)4-5-14-11/h4-5,9,16H,2-3,6-8H2,1H3,(H2,13,14).
What are the key properties of 4-amino-N-butyl-N-(2-hydroxyethyl)pyridine-2-carboxamide?
4-amino-N-butyl-N-(2-hydroxyethyl)pyridine-2-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-butyl-N-(2-hydroxyethyl)pyridine-2-carboxamide is sourced from PubChem (CID 62160207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).