6-amino-N-butyl-N-(2-hydroxyethyl)pyridine-3-carboxamide

C12H19N3O2 — CID 62160208

IUPAC6-amino-N-butyl-N-(2-hydroxyethyl)pyridine-3-carboxamide
SMILESCCCCN(CCO)C(=O)c1ccc(N)nc1
InChIInChI=1S/C12H19N3O2/c1-2-3-6-15(7-8-16)12(17)10-4-5-11(13)14-9-10/h4-5,9,16H,2-3,6-8H2,1H3,(H2,13,14)
InChIKeyLVSHKBNHKYEKKI-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.90
Rot. Bonds6

About 6-amino-N-butyl-N-(2-hydroxyethyl)pyridine-3-carboxamide

6-amino-N-butyl-N-(2-hydroxyethyl)pyridine-3-carboxamide (PubChem CID 62160208) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 6-amino-N-butyl-N-(2-hydroxyethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-butyl-N-(2-hydroxyethyl)pyridine-3-carboxamide
PubChem CID62160208
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name6-amino-N-butyl-N-(2-hydroxyethyl)pyridine-3-carboxamide
SMILESCCCCN(CCO)C(=O)c1ccc(N)nc1
InChIInChI=1S/C12H19N3O2/c1-2-3-6-15(7-8-16)12(17)10-4-5-11(13)14-9-10/h4-5,9,16H,2-3,6-8H2,1H3,(H2,13,14)
InChIKeyLVSHKBNHKYEKKI-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

6-amino-N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide
CID 62162096
6-amino-N-ethyl-N-propylpyridine-3-carboxamide
CID 62153905
6-fluoro-N-hexyl-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 63979343
6-hydrazinyl-N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide
CID 62249442
N-butyl-N-(2-hydroxyethyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63742331
N-butyl-N-(2-hydroxyethyl)-2-methylpyridine-4-carboxamide
CID 106753379
4-amino-N-butyl-N-propylbenzamide
CID 127119640
4-amino-N-(2-hydroxyethyl)-N-propylbenzamide
CID 60946109
6-amino-N-(2-ethoxyethyl)-N-ethylpyridine-3-carboxamide
CID 63690796
3-amino-N-butyl-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 104741624
4-amino-N-butyl-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 62160207
5-N,5-N-dipropylpyridine-2,5-dicarboxamide
CID 47460392

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-butyl-N-(2-hydroxyethyl)pyridine-3-carboxamide?
The IUPAC name of 6-amino-N-butyl-N-(2-hydroxyethyl)pyridine-3-carboxamide (CID 62160208) is 6-amino-N-butyl-N-(2-hydroxyethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-amino-N-butyl-N-(2-hydroxyethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-amino-N-butyl-N-(2-hydroxyethyl)pyridine-3-carboxamide is CCCCN(CCO)C(=O)c1ccc(N)nc1.
What is the InChIKey of 6-amino-N-butyl-N-(2-hydroxyethyl)pyridine-3-carboxamide?
The InChIKey is LVSHKBNHKYEKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-2-3-6-15(7-8-16)12(17)10-4-5-11(13)14-9-10/h4-5,9,16H,2-3,6-8H2,1H3,(H2,13,14).
What are the key properties of 6-amino-N-butyl-N-(2-hydroxyethyl)pyridine-3-carboxamide?
6-amino-N-butyl-N-(2-hydroxyethyl)pyridine-3-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 6-amino-N-butyl-N-(2-hydroxyethyl)pyridine-3-carboxamide is sourced from PubChem (CID 62160208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).