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

C12H19N3O2 — CID 104741624

IUPAC3-amino-N-butyl-N-(2-hydroxyethyl)pyridine-2-carboxamide
SMILESCCCCN(CCO)C(=O)c1ncccc1N
InChIInChI=1S/C12H19N3O2/c1-2-3-7-15(8-9-16)12(17)11-10(13)5-4-6-14-11/h4-6,16H,2-3,7-9,13H2,1H3
InChIKeySJSFXPJWQYZUIE-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.90
Rot. Bonds6

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

3-amino-N-butyl-N-(2-hydroxyethyl)pyridine-2-carboxamide (PubChem CID 104741624) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-amino-N-butyl-N-(2-hydroxyethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-butyl-N-(2-hydroxyethyl)pyridine-2-carboxamide
PubChem CID104741624
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name3-amino-N-butyl-N-(2-hydroxyethyl)pyridine-2-carboxamide
SMILESCCCCN(CCO)C(=O)c1ncccc1N
InChIInChI=1S/C12H19N3O2/c1-2-3-7-15(8-9-16)12(17)11-10(13)5-4-6-14-11/h4-6,16H,2-3,7-9,13H2,1H3
InChIKeySJSFXPJWQYZUIE-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

3-amino-N,N-bis(2-hydroxyethyl)pyridine-2-carboxamide
CID 104741768
3-amino-N-heptyl-N-(3-hydroxypropyl)pyridine-2-carboxamide
CID 104741773
3-amino-N-ethyl-N-propylpyridine-2-carboxamide
CID 104741010
3-amino-N-butan-2-yl-N-butylpyridine-2-carboxamide
CID 113447633
2-bromo-N-butyl-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 88634155
N-butyl-2-chloro-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 60742751
3-amino-N-propyl-N-prop-2-ynylpyridine-2-carboxamide
CID 104742747
4-amino-N-butyl-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 62160207
6-amino-N-butyl-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 62160208
3-amino-N-ethyl-N-prop-2-ynylpyridine-2-carboxamide
CID 104742746
2-amino-N-butyl-3-fluoro-N-(2-hydroxyethyl)pyridine-4-carboxamide
CID 105385323
3-amino-N-hydroxy-N-methylpyridine-2-carboxamide
CID 130884472

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-butyl-N-(2-hydroxyethyl)pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-butyl-N-(2-hydroxyethyl)pyridine-2-carboxamide (CID 104741624) is 3-amino-N-butyl-N-(2-hydroxyethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-butyl-N-(2-hydroxyethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-butyl-N-(2-hydroxyethyl)pyridine-2-carboxamide is CCCCN(CCO)C(=O)c1ncccc1N.
What is the InChIKey of 3-amino-N-butyl-N-(2-hydroxyethyl)pyridine-2-carboxamide?
The InChIKey is SJSFXPJWQYZUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-2-3-7-15(8-9-16)12(17)11-10(13)5-4-6-14-11/h4-6,16H,2-3,7-9,13H2,1H3.
What are the key properties of 3-amino-N-butyl-N-(2-hydroxyethyl)pyridine-2-carboxamide?
3-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 3-amino-N-butyl-N-(2-hydroxyethyl)pyridine-2-carboxamide is sourced from PubChem (CID 104741624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).