N-(2-methoxy-5-methylphenyl)-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide

C18H20N2O3S — CID 100736359

IUPACN-(2-methoxy-5-methylphenyl)-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cccnc1O[C@@H]1CCSC1
InChIInChI=1S/C18H20N2O3S/c1-12-5-6-16(22-2)15(10-12)20-17(21)14-4-3-8-19-18(14)23-13-7-9-24-11-13/h3-6,8,10,13H,7,9,11H2,1-2H3,(H,20,21)/t13-/m1/s1
InChIKeyNLLCBPJCMMDTHS-CYBMUJFWSA-N
MW344.44 g/mol
LogP3.54
Rot. Bonds5

About N-(2-methoxy-5-methylphenyl)-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide

N-(2-methoxy-5-methylphenyl)-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide (PubChem CID 100736359) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide
PubChem CID100736359
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC NameN-(2-methoxy-5-methylphenyl)-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cccnc1O[C@@H]1CCSC1
InChIInChI=1S/C18H20N2O3S/c1-12-5-6-16(22-2)15(10-12)20-17(21)14-4-3-8-19-18(14)23-13-7-9-24-11-13/h3-6,8,10,13H,7,9,11H2,1-2H3,(H,20,21)/t13-/m1/s1
InChIKeyNLLCBPJCMMDTHS-CYBMUJFWSA-N
XLogP3.54
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-bromo-2-methylphenyl)-2-(thiolan-3-yloxy)pyridine-3-carboxamide
CID 91815768
2-ethoxy-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide
CID 7962641
N-(2-phenylphenyl)-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 100736250
N-(2-oxochromen-3-yl)-2-[(3S)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 100735758
2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxylic acid
CID 124680761
N-prop-2-ynyl-2-(thiolan-3-yloxy)pyridine-3-carboxamide
CID 91815769
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
N-(2-bromo-5-methylphenyl)-2-methoxypyridine-3-carboxamide
CID 82707201
N-[2-(2-methylimidazol-1-yl)ethyl]-2-(thiolan-3-yloxy)pyridine-3-carboxamide
CID 91815696
N-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]methyl]-2-[(3S)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 124844112
tert-butyl N-[3-[[2-(thiolan-3-yloxy)pyridine-3-carbonyl]amino]propyl]carbamate
CID 91815760

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide (CID 100736359) is N-(2-methoxy-5-methylphenyl)-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide is COc1ccc(C)cc1NC(=O)c1cccnc1O[C@@H]1CCSC1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide?
The InChIKey is NLLCBPJCMMDTHS-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-12-5-6-16(22-2)15(10-12)20-17(21)14-4-3-8-19-18(14)23-13-7-9-24-11-13/h3-6,8,10,13H,7,9,11H2,1-2H3,(H,20,21)/t13-/m1/s1.
What are the key properties of N-(2-methoxy-5-methylphenyl)-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide?
N-(2-methoxy-5-methylphenyl)-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide is sourced from PubChem (CID 100736359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).