5-amino-N-(2-ethyl-2-hydroxybutyl)pyridine-2-carboxamide

C12H19N3O2 — CID 81317367

IUPAC5-amino-N-(2-ethyl-2-hydroxybutyl)pyridine-2-carboxamide
SMILESCCC(O)(CC)CNC(=O)c1ccc(N)cn1
InChIInChI=1S/C12H19N3O2/c1-3-12(17,4-2)8-15-11(16)10-6-5-9(13)7-14-10/h5-7,17H,3-4,8,13H2,1-2H3,(H,15,16)
InChIKeyTXNOYXIVNZNRGO-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.94
Rot. Bonds5

About 5-amino-N-(2-ethyl-2-hydroxybutyl)pyridine-2-carboxamide

5-amino-N-(2-ethyl-2-hydroxybutyl)pyridine-2-carboxamide (PubChem CID 81317367) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 5-amino-N-(2-ethyl-2-hydroxybutyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2-ethyl-2-hydroxybutyl)pyridine-2-carboxamide
PubChem CID81317367
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name5-amino-N-(2-ethyl-2-hydroxybutyl)pyridine-2-carboxamide
SMILESCCC(O)(CC)CNC(=O)c1ccc(N)cn1
InChIInChI=1S/C12H19N3O2/c1-3-12(17,4-2)8-15-11(16)10-6-5-9(13)7-14-10/h5-7,17H,3-4,8,13H2,1-2H3,(H,15,16)
InChIKeyTXNOYXIVNZNRGO-UHFFFAOYSA-N
XLogP0.94
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-[2-(dimethylamino)-2-methylpropyl]pyridine-2-carboxamide
CID 81316054
5-amino-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-2-carboxamide
CID 81316339
5-amino-N-(2-methylbutan-2-yl)pyridine-2-carboxamide
CID 81319675
5-amino-N-prop-2-ynylpyridine-2-carboxamide
CID 81316148
5-amino-N-[2-[ethyl(methyl)amino]-2-oxoethyl]pyridine-2-carboxamide
CID 114132588
6-chloro-N-(2-ethyl-2-hydroxybutyl)pyridine-2-carboxamide
CID 65107379
5-amino-N-(cyclopropylmethyl)pyridine-2-carboxamide
CID 81319676
5-amino-N-(5-hydroxypentyl)pyridine-2-carboxamide
CID 107316260
5-amino-N-(3-ethylpentan-2-yl)pyridine-2-carboxamide
CID 81317024
5-amino-N-[2-[di(propan-2-yl)amino]ethyl]pyridine-2-carboxamide
CID 81319681
2-(5-amino-2-pyridinyl)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 107339002
5-amino-N-[(5-methylthiophen-2-yl)methyl]pyridine-2-carboxamide
CID 81317234

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-ethyl-2-hydroxybutyl)pyridine-2-carboxamide?
The IUPAC name of 5-amino-N-(2-ethyl-2-hydroxybutyl)pyridine-2-carboxamide (CID 81317367) is 5-amino-N-(2-ethyl-2-hydroxybutyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-amino-N-(2-ethyl-2-hydroxybutyl)pyridine-2-carboxamide?
The canonical SMILES for 5-amino-N-(2-ethyl-2-hydroxybutyl)pyridine-2-carboxamide is CCC(O)(CC)CNC(=O)c1ccc(N)cn1.
What is the InChIKey of 5-amino-N-(2-ethyl-2-hydroxybutyl)pyridine-2-carboxamide?
The InChIKey is TXNOYXIVNZNRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-3-12(17,4-2)8-15-11(16)10-6-5-9(13)7-14-10/h5-7,17H,3-4,8,13H2,1-2H3,(H,15,16).
What are the key properties of 5-amino-N-(2-ethyl-2-hydroxybutyl)pyridine-2-carboxamide?
5-amino-N-(2-ethyl-2-hydroxybutyl)pyridine-2-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 0.94, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-ethyl-2-hydroxybutyl)pyridine-2-carboxamide is sourced from PubChem (CID 81317367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).