N-[2-(4-aminocyclohexyl)oxyethyl]-5-hydroxypyridine-3-carboxamide

C14H21N3O3 — CID 63869966

IUPACN-[2-(4-aminocyclohexyl)oxyethyl]-5-hydroxypyridine-3-carboxamide
SMILESNC1CCC(OCCNC(=O)c2cncc(O)c2)CC1
InChIInChI=1S/C14H21N3O3/c15-11-1-3-13(4-2-11)20-6-5-17-14(19)10-7-12(18)9-16-8-10/h7-9,11,13,18H,1-6,15H2,(H,17,19)
InChIKeyBZGOPEBIYMMKBC-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.80
Rot. Bonds5

About N-[2-(4-aminocyclohexyl)oxyethyl]-5-hydroxypyridine-3-carboxamide

N-[2-(4-aminocyclohexyl)oxyethyl]-5-hydroxypyridine-3-carboxamide (PubChem CID 63869966) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[2-(4-aminocyclohexyl)oxyethyl]-5-hydroxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-aminocyclohexyl)oxyethyl]-5-hydroxypyridine-3-carboxamide
PubChem CID63869966
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-[2-(4-aminocyclohexyl)oxyethyl]-5-hydroxypyridine-3-carboxamide
SMILESNC1CCC(OCCNC(=O)c2cncc(O)c2)CC1
InChIInChI=1S/C14H21N3O3/c15-11-1-3-13(4-2-11)20-6-5-17-14(19)10-7-12(18)9-16-8-10/h7-9,11,13,18H,1-6,15H2,(H,17,19)
InChIKeyBZGOPEBIYMMKBC-UHFFFAOYSA-N
XLogP0.80
TPSA97.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-(4-aminocyclohexyl)oxyethyl]-5-hydroxypyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-aminocyclohexyl)oxyethyl]-3,5-dihydroxybenzamide
CID 107704978
N-[2-(4-aminocyclohexyl)oxyethyl]-3,4-difluorobenzamide
CID 63871300
N-(2-cyclopentylethyl)-5-hydroxypyridine-3-carboxamide
CID 63866200
5-hydroxy-N-[5-[(5-hydroxypyridine-3-carbonyl)amino]pentyl]pyridine-3-carboxamide
CID 3309734
N-[2-(4-aminocyclohexyl)oxyethyl]-2-methylpyridine-4-carboxamide
CID 106753638
N-(2-cyclopentyloxyethyl)-3,5-dihydroxybenzamide
CID 104938884
N-(cyclopentylmethyl)-5-hydroxypyridine-3-carboxamide
CID 63865672
N-[2-(4-aminocyclohexyl)oxyethyl]-2H-triazole-4-carboxamide
CID 55251521
N-[2-(4-aminocyclohexyl)oxyethyl]-3-chloro-5-methylbenzamide
CID 81316459
N-[2-(4-aminocyclohexyl)oxyethyl]-4-fluoro-3-methylbenzamide
CID 63870470
5-hydroxy-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 63865493
N-[2-(cycloheptylamino)ethyl]-5-hydroxypyridine-3-carboxamide
CID 115306498

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminocyclohexyl)oxyethyl]-5-hydroxypyridine-3-carboxamide?
The IUPAC name of N-[2-(4-aminocyclohexyl)oxyethyl]-5-hydroxypyridine-3-carboxamide (CID 63869966) is N-[2-(4-aminocyclohexyl)oxyethyl]-5-hydroxypyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4-aminocyclohexyl)oxyethyl]-5-hydroxypyridine-3-carboxamide?
The canonical SMILES for N-[2-(4-aminocyclohexyl)oxyethyl]-5-hydroxypyridine-3-carboxamide is NC1CCC(OCCNC(=O)c2cncc(O)c2)CC1.
What is the InChIKey of N-[2-(4-aminocyclohexyl)oxyethyl]-5-hydroxypyridine-3-carboxamide?
The InChIKey is BZGOPEBIYMMKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c15-11-1-3-13(4-2-11)20-6-5-17-14(19)10-7-12(18)9-16-8-10/h7-9,11,13,18H,1-6,15H2,(H,17,19).
What are the key properties of N-[2-(4-aminocyclohexyl)oxyethyl]-5-hydroxypyridine-3-carboxamide?
N-[2-(4-aminocyclohexyl)oxyethyl]-5-hydroxypyridine-3-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 0.80, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminocyclohexyl)oxyethyl]-5-hydroxypyridine-3-carboxamide is sourced from PubChem (CID 63869966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).