N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-2-(thiolan-3-yloxy)pyridine-4-carboxamide

C17H19N3O3S — CID 91815579

IUPACN-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-2-(thiolan-3-yloxy)pyridine-4-carboxamide
SMILESO=C(Nc1onc2c1CCCC2)c1ccnc(OC2CCSC2)c1
InChIInChI=1S/C17H19N3O3S/c21-16(19-17-13-3-1-2-4-14(13)20-23-17)11-5-7-18-15(9-11)22-12-6-8-24-10-12/h5,7,9,12H,1-4,6,8,10H2,(H,19,21)
InChIKeyYYWGVKBTACPEOR-UHFFFAOYSA-N
MW345.42 g/mol
LogP3.09
Rot. Bonds4

About N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-2-(thiolan-3-yloxy)pyridine-4-carboxamide

N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-2-(thiolan-3-yloxy)pyridine-4-carboxamide (PubChem CID 91815579) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-2-(thiolan-3-yloxy)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-2-(thiolan-3-yloxy)pyridine-4-carboxamide
PubChem CID91815579
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC NameN-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-2-(thiolan-3-yloxy)pyridine-4-carboxamide
SMILESO=C(Nc1onc2c1CCCC2)c1ccnc(OC2CCSC2)c1
InChIInChI=1S/C17H19N3O3S/c21-16(19-17-13-3-1-2-4-14(13)20-23-17)11-5-7-18-15(9-11)22-12-6-8-24-10-12/h5,7,9,12H,1-4,6,8,10H2,(H,19,21)
InChIKeyYYWGVKBTACPEOR-UHFFFAOYSA-N
XLogP3.09
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-2-(thiolan-3-yloxy)pyridine-4-carboxamide with MolForge

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Related Compounds

N-pyrimidin-2-yl-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100734562
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(3R)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100734697
N-(5-methyl-1,3-thiazol-2-yl)-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100735077
N-(2-bromo-4-fluorophenyl)-2-(thiolan-3-yloxy)pyridine-4-carboxamide
CID 91815685
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 124760779
N,N,4-trimethyl-2-[[2-[(3R)-thiolan-3-yl]oxypyridine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide
CID 100734902
N-(3-methoxypropyl)-2-[(3R)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100733796
morpholin-4-yl-[2-[(3R)-thiolan-3-yl]oxy-4-pyridinyl]methanone
CID 100733701
N-(2-phenoxyethyl)-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100735245
N-(2,2-diethoxyethyl)-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100733843
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[(3R)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100734114
N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)benzamide
CID 16942268

Frequently Asked Questions

What is the IUPAC name of N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-2-(thiolan-3-yloxy)pyridine-4-carboxamide?
The IUPAC name of N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-2-(thiolan-3-yloxy)pyridine-4-carboxamide (CID 91815579) is N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-2-(thiolan-3-yloxy)pyridine-4-carboxamide.
What is the SMILES notation for N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-2-(thiolan-3-yloxy)pyridine-4-carboxamide?
The canonical SMILES for N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-2-(thiolan-3-yloxy)pyridine-4-carboxamide is O=C(Nc1onc2c1CCCC2)c1ccnc(OC2CCSC2)c1.
What is the InChIKey of N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-2-(thiolan-3-yloxy)pyridine-4-carboxamide?
The InChIKey is YYWGVKBTACPEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c21-16(19-17-13-3-1-2-4-14(13)20-23-17)11-5-7-18-15(9-11)22-12-6-8-24-10-12/h5,7,9,12H,1-4,6,8,10H2,(H,19,21).
What are the key properties of N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-2-(thiolan-3-yloxy)pyridine-4-carboxamide?
N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-2-(thiolan-3-yloxy)pyridine-4-carboxamide has a molecular weight of 345.42 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-2-(thiolan-3-yloxy)pyridine-4-carboxamide is sourced from PubChem (CID 91815579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).