N-(3-bromo-2-methylphenyl)-2-(thiolan-3-yloxy)pyridine-3-carboxamide

C17H17BrN2O2S — CID 91815768

IUPACN-(3-bromo-2-methylphenyl)-2-(thiolan-3-yloxy)pyridine-3-carboxamide
SMILESCc1c(Br)cccc1NC(=O)c1cccnc1OC1CCSC1
InChIInChI=1S/C17H17BrN2O2S/c1-11-14(18)5-2-6-15(11)20-16(21)13-4-3-8-19-17(13)22-12-7-9-23-10-12/h2-6,8,12H,7,9-10H2,1H3,(H,20,21)
InChIKeyRMOJNEDFXWZCLD-UHFFFAOYSA-N
MW393.31 g/mol
LogP4.29
Rot. Bonds4

About N-(3-bromo-2-methylphenyl)-2-(thiolan-3-yloxy)pyridine-3-carboxamide

N-(3-bromo-2-methylphenyl)-2-(thiolan-3-yloxy)pyridine-3-carboxamide (PubChem CID 91815768) has the molecular formula C17H17BrN2O2S and a molecular weight of 393.31 g/mol. Its IUPAC name is N-(3-bromo-2-methylphenyl)-2-(thiolan-3-yloxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-2-methylphenyl)-2-(thiolan-3-yloxy)pyridine-3-carboxamide
PubChem CID91815768
Molecular FormulaC17H17BrN2O2S
Molecular Weight393.31 g/mol
Exact Mass392.02
IUPAC NameN-(3-bromo-2-methylphenyl)-2-(thiolan-3-yloxy)pyridine-3-carboxamide
SMILESCc1c(Br)cccc1NC(=O)c1cccnc1OC1CCSC1
InChIInChI=1S/C17H17BrN2O2S/c1-11-14(18)5-2-6-15(11)20-16(21)13-4-3-8-19-17(13)22-12-7-9-23-10-12/h2-6,8,12H,7,9-10H2,1H3,(H,20,21)
InChIKeyRMOJNEDFXWZCLD-UHFFFAOYSA-N
XLogP4.29
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.31
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-phenylphenyl)-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 100736250
N-(2-methoxy-5-methylphenyl)-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 100736359
2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxylic acid
CID 124680761
N-prop-2-ynyl-2-(thiolan-3-yloxy)pyridine-3-carboxamide
CID 91815769
3-bromo-2-(thiolan-3-yloxy)pyridine
CID 126955056
N-(2-oxochromen-3-yl)-2-[(3S)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 100735758
N-[2-(2-methylimidazol-1-yl)ethyl]-2-(thiolan-3-yloxy)pyridine-3-carboxamide
CID 91815696
N-(3-hydroxypropyl)-2-[(3S)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 124864290
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 124848421
tert-butyl N-[3-[[2-(thiolan-3-yloxy)pyridine-3-carbonyl]amino]propyl]carbamate
CID 91815760
N-[(2-fluorophenyl)methyl]-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 124759309
N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 124860655

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-methylphenyl)-2-(thiolan-3-yloxy)pyridine-3-carboxamide?
The IUPAC name of N-(3-bromo-2-methylphenyl)-2-(thiolan-3-yloxy)pyridine-3-carboxamide (CID 91815768) is N-(3-bromo-2-methylphenyl)-2-(thiolan-3-yloxy)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-bromo-2-methylphenyl)-2-(thiolan-3-yloxy)pyridine-3-carboxamide?
The canonical SMILES for N-(3-bromo-2-methylphenyl)-2-(thiolan-3-yloxy)pyridine-3-carboxamide is Cc1c(Br)cccc1NC(=O)c1cccnc1OC1CCSC1.
What is the InChIKey of N-(3-bromo-2-methylphenyl)-2-(thiolan-3-yloxy)pyridine-3-carboxamide?
The InChIKey is RMOJNEDFXWZCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O2S/c1-11-14(18)5-2-6-15(11)20-16(21)13-4-3-8-19-17(13)22-12-7-9-23-10-12/h2-6,8,12H,7,9-10H2,1H3,(H,20,21).
What are the key properties of N-(3-bromo-2-methylphenyl)-2-(thiolan-3-yloxy)pyridine-3-carboxamide?
N-(3-bromo-2-methylphenyl)-2-(thiolan-3-yloxy)pyridine-3-carboxamide has a molecular weight of 393.31 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-methylphenyl)-2-(thiolan-3-yloxy)pyridine-3-carboxamide is sourced from PubChem (CID 91815768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).