N-(2-hydroxy-2,4-dimethylpentyl)-3-methoxypyridine-4-carboxamide

C14H22N2O3 — CID 105063908

IUPACN-(2-hydroxy-2,4-dimethylpentyl)-3-methoxypyridine-4-carboxamide
SMILESCOc1cnccc1C(=O)NCC(C)(O)CC(C)C
InChIInChI=1S/C14H22N2O3/c1-10(2)7-14(3,18)9-16-13(17)11-5-6-15-8-12(11)19-4/h5-6,8,10,18H,7,9H2,1-4H3,(H,16,17)
InChIKeyAFLTZSGKDWHUAV-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.62
Rot. Bonds6

About N-(2-hydroxy-2,4-dimethylpentyl)-3-methoxypyridine-4-carboxamide

N-(2-hydroxy-2,4-dimethylpentyl)-3-methoxypyridine-4-carboxamide (PubChem CID 105063908) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-(2-hydroxy-2,4-dimethylpentyl)-3-methoxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,4-dimethylpentyl)-3-methoxypyridine-4-carboxamide
PubChem CID105063908
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN-(2-hydroxy-2,4-dimethylpentyl)-3-methoxypyridine-4-carboxamide
SMILESCOc1cnccc1C(=O)NCC(C)(O)CC(C)C
InChIInChI=1S/C14H22N2O3/c1-10(2)7-14(3,18)9-16-13(17)11-5-6-15-8-12(11)19-4/h5-6,8,10,18H,7,9H2,1-4H3,(H,16,17)
InChIKeyAFLTZSGKDWHUAV-UHFFFAOYSA-N
XLogP1.62
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-(2-methylpropyl)pyridine-4-carboxamide
CID 105063807
N-[(3Z)-3-amino-3-hydroxyimino-2,2-dimethylpropyl]-3-methoxypyridine-4-carboxamide
CID 105064330
N-(2-bromo-3-methylbutyl)-3-methoxypyridine-4-carboxamide
CID 105064608
N-(3-bromobutyl)-3-methoxypyridine-4-carboxamide
CID 105064561
3-methoxy-N-[2-(methylamino)ethyl]pyridine-4-carboxamide
CID 105064057
N-(2-hydroxy-2,4-dimethylpentyl)-2-pyridin-3-ylacetamide
CID 66178919
3-[(3-methoxypyridine-4-carbonyl)amino]-5,5-dimethylhexanoic acid
CID 105063310
4-amino-N-(2-hydroxy-2,4-dimethylpentyl)-3-methoxybenzamide
CID 104783057
N-(4-hydroxybutyl)-3-methoxypyridine-4-carboxamide
CID 106843109
N-(1-chloropropan-2-yl)-3-methoxypyridine-4-carboxamide
CID 105064527
N-(1-bromo-4-methylpentan-2-yl)-3-methoxypyridine-4-carboxamide
CID 105064559
(2R)-2-[(3-methoxypyridine-4-carbonyl)amino]-4-methylpentanoic acid
CID 105063148

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,4-dimethylpentyl)-3-methoxypyridine-4-carboxamide?
The IUPAC name of N-(2-hydroxy-2,4-dimethylpentyl)-3-methoxypyridine-4-carboxamide (CID 105063908) is N-(2-hydroxy-2,4-dimethylpentyl)-3-methoxypyridine-4-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2,4-dimethylpentyl)-3-methoxypyridine-4-carboxamide?
The canonical SMILES for N-(2-hydroxy-2,4-dimethylpentyl)-3-methoxypyridine-4-carboxamide is COc1cnccc1C(=O)NCC(C)(O)CC(C)C.
What is the InChIKey of N-(2-hydroxy-2,4-dimethylpentyl)-3-methoxypyridine-4-carboxamide?
The InChIKey is AFLTZSGKDWHUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-10(2)7-14(3,18)9-16-13(17)11-5-6-15-8-12(11)19-4/h5-6,8,10,18H,7,9H2,1-4H3,(H,16,17).
What are the key properties of N-(2-hydroxy-2,4-dimethylpentyl)-3-methoxypyridine-4-carboxamide?
N-(2-hydroxy-2,4-dimethylpentyl)-3-methoxypyridine-4-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,4-dimethylpentyl)-3-methoxypyridine-4-carboxamide is sourced from PubChem (CID 105063908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).