N-(4-chlorobut-2-ynyl)-3-hydroxy-4-methylpyridine-2-carboxamide

C11H11ClN2O2 — CID 23566888

IUPACN-(4-chlorobut-2-ynyl)-3-hydroxy-4-methylpyridine-2-carboxamide
SMILESCc1ccnc(C(=O)NCC#CCCl)c1O
InChIInChI=1S/C11H11ClN2O2/c1-8-4-7-13-9(10(8)15)11(16)14-6-3-2-5-12/h4,7,15H,5-6H2,1H3,(H,14,16)
InChIKeyHUSIDWDOHIILTB-UHFFFAOYSA-N
MW238.67 g/mol
LogP1.07
Rot. Bonds2

About N-(4-chlorobut-2-ynyl)-3-hydroxy-4-methylpyridine-2-carboxamide

N-(4-chlorobut-2-ynyl)-3-hydroxy-4-methylpyridine-2-carboxamide (PubChem CID 23566888) has the molecular formula C11H11ClN2O2 and a molecular weight of 238.67 g/mol. Its IUPAC name is N-(4-chlorobut-2-ynyl)-3-hydroxy-4-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-chlorobut-2-ynyl)-3-hydroxy-4-methylpyridine-2-carboxamide
PubChem CID23566888
Molecular FormulaC11H11ClN2O2
Molecular Weight238.67 g/mol
Exact Mass238.05
IUPAC NameN-(4-chlorobut-2-ynyl)-3-hydroxy-4-methylpyridine-2-carboxamide
SMILESCc1ccnc(C(=O)NCC#CCCl)c1O
InChIInChI=1S/C11H11ClN2O2/c1-8-4-7-13-9(10(8)15)11(16)14-6-3-2-5-12/h4,7,15H,5-6H2,1H3,(H,14,16)
InChIKeyHUSIDWDOHIILTB-UHFFFAOYSA-N
XLogP1.07
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-4-methyl-N-(3-phenylprop-2-ynyl)pyridine-2-carboxamide
CID 23566710
3-hydroxy-N-(4-hydroxy-3,3,5,5-tetramethylcyclohexyl)-4-methylpyridine-2-carboxamide
CID 23566755
3-hydroxy-4-methyl-N-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]pyridine-2-carboxamide
CID 59037446
N-[2-[(4-chloro-3-methylpyridine-2-carbonyl)amino]ethyl]carbamate
CID 21297320
N-[2-[1-(4-tert-butylphenyl)propan-2-yl]-1,3-dioxan-5-yl]-3-hydroxy-4-methylpyridine-2-carboxamide
CID 23566681
[2-[(3-hydroxy-4-methylpyridine-2-carbonyl)amino]-3-oxo-3-propan-2-yloxypropyl] 3-[tert-butyl(dimethyl)silyl]oxybutanoate
CID 23566632
N-but-2-ynyl-3-hydroxy-4-methylbenzamide
CID 115993868
2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4-methylpyridin-3-ol
CID 89130139
3,4-dichloro-N-ethylpyridine-2-carboxamide
CID 123182063
4-methyl-2-(methylamino)pyridin-3-ol
CID 145443368
1-(3,4-dimethyl-2-pyridinyl)ethanone
CID 23003457
5-(dimethylamino)-6-methyl-N-(3-oxobutyl)isoquinoline-1-carboxamide
CID 58518885

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorobut-2-ynyl)-3-hydroxy-4-methylpyridine-2-carboxamide?
The IUPAC name of N-(4-chlorobut-2-ynyl)-3-hydroxy-4-methylpyridine-2-carboxamide (CID 23566888) is N-(4-chlorobut-2-ynyl)-3-hydroxy-4-methylpyridine-2-carboxamide.
What is the SMILES notation for N-(4-chlorobut-2-ynyl)-3-hydroxy-4-methylpyridine-2-carboxamide?
The canonical SMILES for N-(4-chlorobut-2-ynyl)-3-hydroxy-4-methylpyridine-2-carboxamide is Cc1ccnc(C(=O)NCC#CCCl)c1O.
What is the InChIKey of N-(4-chlorobut-2-ynyl)-3-hydroxy-4-methylpyridine-2-carboxamide?
The InChIKey is HUSIDWDOHIILTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2/c1-8-4-7-13-9(10(8)15)11(16)14-6-3-2-5-12/h4,7,15H,5-6H2,1H3,(H,14,16).
What are the key properties of N-(4-chlorobut-2-ynyl)-3-hydroxy-4-methylpyridine-2-carboxamide?
N-(4-chlorobut-2-ynyl)-3-hydroxy-4-methylpyridine-2-carboxamide has a molecular weight of 238.67 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorobut-2-ynyl)-3-hydroxy-4-methylpyridine-2-carboxamide is sourced from PubChem (CID 23566888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).