N-(2-amino-3-ethylpentyl)-3-hydroxypyridine-4-carboxamide

C13H21N3O2 — CID 106286387

IUPACN-(2-amino-3-ethylpentyl)-3-hydroxypyridine-4-carboxamide
SMILESCCC(CC)C(N)CNC(=O)c1ccncc1O
InChIInChI=1S/C13H21N3O2/c1-3-9(4-2)11(14)7-16-13(18)10-5-6-15-8-12(10)17/h5-6,8-9,11,17H,3-4,7,14H2,1-2H3,(H,16,18)
InChIKeyWQCSAXHNAWNJGM-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.28
Rot. Bonds6

About N-(2-amino-3-ethylpentyl)-3-hydroxypyridine-4-carboxamide

N-(2-amino-3-ethylpentyl)-3-hydroxypyridine-4-carboxamide (PubChem CID 106286387) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(2-amino-3-ethylpentyl)-3-hydroxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-3-ethylpentyl)-3-hydroxypyridine-4-carboxamide
PubChem CID106286387
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-(2-amino-3-ethylpentyl)-3-hydroxypyridine-4-carboxamide
SMILESCCC(CC)C(N)CNC(=O)c1ccncc1O
InChIInChI=1S/C13H21N3O2/c1-3-9(4-2)11(14)7-16-13(18)10-5-6-15-8-12(10)17/h5-6,8-9,11,17H,3-4,7,14H2,1-2H3,(H,16,18)
InChIKeyWQCSAXHNAWNJGM-UHFFFAOYSA-N
XLogP1.28
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-N-(2-hydroxypentyl)pyridine-4-carboxamide
CID 115744615
N-(2-amino-3-ethylpentyl)-5-fluoro-2-hydroxybenzamide
CID 106286447
N-(4-bromo-2-methylbutyl)-3-hydroxypyridine-4-carboxamide
CID 114316791
N-(2-chloro-3-methoxypropyl)-3-hydroxypyridine-4-carboxamide
CID 114298783
N-[2-[cyclopropyl(methyl)amino]propyl]-3-hydroxypyridine-4-carboxamide
CID 103762346
3-hydroxy-N-(3-hydroxybutyl)pyridine-4-carboxamide
CID 81443117
(2R)-2-[(3-hydroxypyridine-4-carbonyl)amino]butanoic acid
CID 81445874
N-[2-(aminomethyl)-2-ethylbutyl]-3-hydroxypyridine-4-carboxamide
CID 114164077
3-hydroxy-N-(2-methylbutan-2-yl)pyridine-4-carboxamide
CID 81443662
N-hexan-3-yl-3-hydroxypyridine-4-carboxamide
CID 81442686
4-[2-[(3-hydroxypyridine-4-carbonyl)amino]ethyl]-5-methylhexanoic acid
CID 81438999
N-(2-bromoethyl)-3-hydroxypyridine-4-carboxamide
CID 114307487

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-ethylpentyl)-3-hydroxypyridine-4-carboxamide?
The IUPAC name of N-(2-amino-3-ethylpentyl)-3-hydroxypyridine-4-carboxamide (CID 106286387) is N-(2-amino-3-ethylpentyl)-3-hydroxypyridine-4-carboxamide.
What is the SMILES notation for N-(2-amino-3-ethylpentyl)-3-hydroxypyridine-4-carboxamide?
The canonical SMILES for N-(2-amino-3-ethylpentyl)-3-hydroxypyridine-4-carboxamide is CCC(CC)C(N)CNC(=O)c1ccncc1O.
What is the InChIKey of N-(2-amino-3-ethylpentyl)-3-hydroxypyridine-4-carboxamide?
The InChIKey is WQCSAXHNAWNJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-9(4-2)11(14)7-16-13(18)10-5-6-15-8-12(10)17/h5-6,8-9,11,17H,3-4,7,14H2,1-2H3,(H,16,18).
What are the key properties of N-(2-amino-3-ethylpentyl)-3-hydroxypyridine-4-carboxamide?
N-(2-amino-3-ethylpentyl)-3-hydroxypyridine-4-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 1.28, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-ethylpentyl)-3-hydroxypyridine-4-carboxamide is sourced from PubChem (CID 106286387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).