N-propan-2-yloxypyridine-3-carboxamide;hydrochloride

C9H13ClN2O2 — CID 3028390

IUPACN-propan-2-yloxypyridine-3-carboxamide;hydrochloride
SMILESCC(C)ONC(=O)c1cccnc1.Cl
InChIInChI=1S/C9H12N2O2.ClH/c1-7(2)13-11-9(12)8-4-3-5-10-6-8;/h3-7H,1-2H3,(H,11,12);1H
InChIKeyWHXDTQJXVPVQLG-UHFFFAOYSA-N
MW216.67 g/mol
LogP1.57
Rot. Bonds3

About N-propan-2-yloxypyridine-3-carboxamide;hydrochloride

N-propan-2-yloxypyridine-3-carboxamide;hydrochloride (PubChem CID 3028390) has the molecular formula C9H13ClN2O2 and a molecular weight of 216.67 g/mol. Its IUPAC name is N-propan-2-yloxypyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-propan-2-yloxypyridine-3-carboxamide;hydrochloride
PubChem CID3028390
Molecular FormulaC9H13ClN2O2
Molecular Weight216.67 g/mol
Exact Mass216.07
IUPAC NameN-propan-2-yloxypyridine-3-carboxamide;hydrochloride
SMILESCC(C)ONC(=O)c1cccnc1.Cl
InChIInChI=1S/C9H12N2O2.ClH/c1-7(2)13-11-9(12)8-4-3-5-10-6-8;/h3-7H,1-2H3,(H,11,12);1H
InChIKeyWHXDTQJXVPVQLG-UHFFFAOYSA-N
XLogP1.57
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(propan-2-yloxymethyl)pyridine-3-carboxamide
CID 3794279
N-methylpyridine-3-carboxamide chloride
CID 20976730
N-[4-(propan-2-ylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 26157561
3-methyl-2-(pyridine-3-carbonylamino)butanoic acid;hydrochloride
CID 52993255
N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide
CID 39237258
N-[(2S)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 54216769
N-(1-phenoxypropan-2-yl)pyridine-3-carboxamide
CID 47311353
N-(4-acetamidophenyl)pyridine-3-carboxamide
CID 766053
methyl (2S)-2-(pyridine-3-carbonylcarbamothioylamino)propanoate
CID 131844422
N-[3-(1-aminoethyl)phenyl]pyridine-3-carboxamide
CID 16782541
methyl 2-hydroxy-3-(pyridine-3-carbonylamino)propanoate
CID 103879213
(111C)methyl pyridine-3-carboxylate
CID 11309537

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yloxypyridine-3-carboxamide;hydrochloride?
The IUPAC name of N-propan-2-yloxypyridine-3-carboxamide;hydrochloride (CID 3028390) is N-propan-2-yloxypyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-propan-2-yloxypyridine-3-carboxamide;hydrochloride?
The canonical SMILES for N-propan-2-yloxypyridine-3-carboxamide;hydrochloride is CC(C)ONC(=O)c1cccnc1.Cl.
What is the InChIKey of N-propan-2-yloxypyridine-3-carboxamide;hydrochloride?
The InChIKey is WHXDTQJXVPVQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2.ClH/c1-7(2)13-11-9(12)8-4-3-5-10-6-8;/h3-7H,1-2H3,(H,11,12);1H.
What are the key properties of N-propan-2-yloxypyridine-3-carboxamide;hydrochloride?
N-propan-2-yloxypyridine-3-carboxamide;hydrochloride has a molecular weight of 216.67 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yloxypyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 3028390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).