5-chloro-N-(3-hydroxypropyl)-6-propan-2-yloxypyridine-3-carboxamide

C12H17ClN2O3 — CID 78904618

IUPAC5-chloro-N-(3-hydroxypropyl)-6-propan-2-yloxypyridine-3-carboxamide
SMILESCC(C)Oc1ncc(C(=O)NCCCO)cc1Cl
InChIInChI=1S/C12H17ClN2O3/c1-8(2)18-12-10(13)6-9(7-15-12)11(17)14-4-3-5-16/h6-8,16H,3-5H2,1-2H3,(H,14,17)
InChIKeyMJGRVLRLVZLYPA-UHFFFAOYSA-N
MW272.73 g/mol
LogP1.63
Rot. Bonds6

About 5-chloro-N-(3-hydroxypropyl)-6-propan-2-yloxypyridine-3-carboxamide

5-chloro-N-(3-hydroxypropyl)-6-propan-2-yloxypyridine-3-carboxamide (PubChem CID 78904618) has the molecular formula C12H17ClN2O3 and a molecular weight of 272.73 g/mol. Its IUPAC name is 5-chloro-N-(3-hydroxypropyl)-6-propan-2-yloxypyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(3-hydroxypropyl)-6-propan-2-yloxypyridine-3-carboxamide
PubChem CID78904618
Molecular FormulaC12H17ClN2O3
Molecular Weight272.73 g/mol
Exact Mass272.09
IUPAC Name5-chloro-N-(3-hydroxypropyl)-6-propan-2-yloxypyridine-3-carboxamide
SMILESCC(C)Oc1ncc(C(=O)NCCCO)cc1Cl
InChIInChI=1S/C12H17ClN2O3/c1-8(2)18-12-10(13)6-9(7-15-12)11(17)14-4-3-5-16/h6-8,16H,3-5H2,1-2H3,(H,14,17)
InChIKeyMJGRVLRLVZLYPA-UHFFFAOYSA-N
XLogP1.63
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.73
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-tert-butylsulfanylethyl)-5-chloro-6-propan-2-yloxypyridine-3-carboxamide
CID 86883963
5-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]-6-propan-2-yloxypyridine-3-carboxamide
CID 55856670
5-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-propan-2-yloxypyridine-3-carboxamide
CID 87021021
5-chloro-N-(3-morpholin-4-yl-3-oxopropyl)-6-propan-2-yloxypyridine-3-carboxamide
CID 51120675
5,6-dichloro-N-(6-hydroxyhexyl)pyridine-3-carboxamide
CID 103918869
5,6-dichloro-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-3-carboxamide
CID 103614113
5,6-dichloro-N-(4-propan-2-yloxybutyl)pyridine-3-carboxamide
CID 113382032
5-chloro-N-(1-cyclopropylethyl)-6-propan-2-yloxypyridine-3-carboxamide
CID 75415942
5-chloro-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-6-propan-2-yloxypyridine-3-carboxamide
CID 86974330
2-amino-1-(5-chloro-6-propan-2-yloxy-3-pyridinyl)ethanone;hydrochloride
CID 141116458
N-(4-hydroxybutyl)-4-propan-2-yloxybenzamide
CID 106843629
5-[(5,6-dichloropyridine-3-carbonyl)amino]-2-methylpentanoic acid
CID 104682536

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-hydroxypropyl)-6-propan-2-yloxypyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-(3-hydroxypropyl)-6-propan-2-yloxypyridine-3-carboxamide (CID 78904618) is 5-chloro-N-(3-hydroxypropyl)-6-propan-2-yloxypyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-(3-hydroxypropyl)-6-propan-2-yloxypyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-(3-hydroxypropyl)-6-propan-2-yloxypyridine-3-carboxamide is CC(C)Oc1ncc(C(=O)NCCCO)cc1Cl.
What is the InChIKey of 5-chloro-N-(3-hydroxypropyl)-6-propan-2-yloxypyridine-3-carboxamide?
The InChIKey is MJGRVLRLVZLYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3/c1-8(2)18-12-10(13)6-9(7-15-12)11(17)14-4-3-5-16/h6-8,16H,3-5H2,1-2H3,(H,14,17).
What are the key properties of 5-chloro-N-(3-hydroxypropyl)-6-propan-2-yloxypyridine-3-carboxamide?
5-chloro-N-(3-hydroxypropyl)-6-propan-2-yloxypyridine-3-carboxamide has a molecular weight of 272.73 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-hydroxypropyl)-6-propan-2-yloxypyridine-3-carboxamide is sourced from PubChem (CID 78904618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).