3-amino-N-[2-(2-hydroxyethyl)pentyl]pyridine-2-carboxamide

C13H21N3O2 — CID 114145530

IUPAC3-amino-N-[2-(2-hydroxyethyl)pentyl]pyridine-2-carboxamide
SMILESCCCC(CCO)CNC(=O)c1ncccc1N
InChIInChI=1S/C13H21N3O2/c1-2-4-10(6-8-17)9-16-13(18)12-11(14)5-3-7-15-12/h3,5,7,10,17H,2,4,6,8-9,14H2,1H3,(H,16,18)
InChIKeyHXVCJJPUDKFOII-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.19
Rot. Bonds7

About 3-amino-N-[2-(2-hydroxyethyl)pentyl]pyridine-2-carboxamide

3-amino-N-[2-(2-hydroxyethyl)pentyl]pyridine-2-carboxamide (PubChem CID 114145530) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-amino-N-[2-(2-hydroxyethyl)pentyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(2-hydroxyethyl)pentyl]pyridine-2-carboxamide
PubChem CID114145530
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name3-amino-N-[2-(2-hydroxyethyl)pentyl]pyridine-2-carboxamide
SMILESCCCC(CCO)CNC(=O)c1ncccc1N
InChIInChI=1S/C13H21N3O2/c1-2-4-10(6-8-17)9-16-13(18)12-11(14)5-3-7-15-12/h3,5,7,10,17H,2,4,6,8-9,14H2,1H3,(H,16,18)
InChIKeyHXVCJJPUDKFOII-UHFFFAOYSA-N
XLogP1.19
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[2-(2-hydroxyethyl)pentyl]pyridine-2-carboxamide
CID 114078844
(3S)-3-[[(3-aminopyridine-2-carbonyl)amino]methyl]-5-methylhexanoic acid
CID 104742465
N-[2-(2-hydroxyethyl)pentyl]pyridine-3-carboxamide
CID 103722744
3-amino-N-(2,2-dichloroethyl)pyridine-2-carboxamide
CID 130551892
3-amino-N-(2,2-difluoroethyl)pyridine-2-carboxamide
CID 104742724
3-[2-(2-hydroxyethyl)pentylamino]pyridine-2-carboxylic acid
CID 106115965
N-[2-(2-hydroxyethyl)pentyl]pyridine-4-carboxamide
CID 111662354
3-amino-N-(2-phenylpropyl)pyridine-2-carboxamide
CID 104742039
N-[2-(2-hydroxyethyl)pentyl]-2-phenylpyrimidine-5-carboxamide
CID 111662357
2-chloro-N-[2-(2-hydroxyethyl)pentyl]benzamide
CID 103722702
(2R)-2-amino-N-[2-(2-hydroxyethyl)pentyl]-2-phenylacetamide
CID 106116650
N-[2-(2-hydroxyethyl)pentyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 111662368

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2-hydroxyethyl)pentyl]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[2-(2-hydroxyethyl)pentyl]pyridine-2-carboxamide (CID 114145530) is 3-amino-N-[2-(2-hydroxyethyl)pentyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(2-hydroxyethyl)pentyl]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[2-(2-hydroxyethyl)pentyl]pyridine-2-carboxamide is CCCC(CCO)CNC(=O)c1ncccc1N.
What is the InChIKey of 3-amino-N-[2-(2-hydroxyethyl)pentyl]pyridine-2-carboxamide?
The InChIKey is HXVCJJPUDKFOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-2-4-10(6-8-17)9-16-13(18)12-11(14)5-3-7-15-12/h3,5,7,10,17H,2,4,6,8-9,14H2,1H3,(H,16,18).
What are the key properties of 3-amino-N-[2-(2-hydroxyethyl)pentyl]pyridine-2-carboxamide?
3-amino-N-[2-(2-hydroxyethyl)pentyl]pyridine-2-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 1.19, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2-hydroxyethyl)pentyl]pyridine-2-carboxamide is sourced from PubChem (CID 114145530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).