4-(hydroxymethyl)-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]pyridine-2-carboxamide

C16H19N3O4S — CID 91797119

IUPAC4-(hydroxymethyl)-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]pyridine-2-carboxamide
SMILESO=C(N[C@@H]1CCOC[C@H]1OCc1cscn1)c1cc(CO)ccn1
InChIInChI=1S/C16H19N3O4S/c20-6-11-1-3-17-14(5-11)16(21)19-13-2-4-22-8-15(13)23-7-12-9-24-10-18-12/h1,3,5,9-10,13,15,20H,2,4,6-8H2,(H,19,21)/t13-,15-/m1/s1
InChIKeyKZQCIJGXIMZXKQ-UKRRQHHQSA-N
MW349.41 g/mol
LogP1.13
Rot. Bonds6

About 4-(hydroxymethyl)-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]pyridine-2-carboxamide

4-(hydroxymethyl)-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]pyridine-2-carboxamide (PubChem CID 91797119) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]pyridine-2-carboxamide
PubChem CID91797119
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC Name4-(hydroxymethyl)-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]pyridine-2-carboxamide
SMILESO=C(N[C@@H]1CCOC[C@H]1OCc1cscn1)c1cc(CO)ccn1
InChIInChI=1S/C16H19N3O4S/c20-6-11-1-3-17-14(5-11)16(21)19-13-2-4-22-8-15(13)23-7-12-9-24-10-18-12/h1,3,5,9-10,13,15,20H,2,4,6-8H2,(H,19,21)/t13-,15-/m1/s1
InChIKeyKZQCIJGXIMZXKQ-UKRRQHHQSA-N
XLogP1.13
TPSA93.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-(hydroxymethyl)-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]pyridine-2-carboxamide with MolForge

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Related Compounds

N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-1,2-oxazole-3-carboxamide
CID 91772273
N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]quinoxaline-2-carboxamide
CID 91789371
N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-1H-pyrrole-2-carboxamide
CID 91794482
4-chloro-2-hydroxy-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]benzamide
CID 91795550
N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-1,3-benzodioxole-5-carboxamide
CID 91759736
4-cyano-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-1H-pyrrole-2-carboxamide
CID 91765856
5-methyl-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-2H-triazole-4-carboxamide
CID 91793986
4-[(3S,4R)-4-[[4-(hydroxymethyl)pyridine-2-carbonyl]amino]oxan-3-yl]oxybenzoic acid
CID 91774592
3-amino-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]-1,2-thiazole-4-carboxamide
CID 91762940
1-[(3-fluorophenyl)methyl]-3-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]urea
CID 91798261
2-(azepan-1-yl)-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]acetamide
CID 91781794
4-(hydroxymethyl)-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]pyridine-2-carboxamide
CID 91787921

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]pyridine-2-carboxamide?
The IUPAC name of 4-(hydroxymethyl)-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]pyridine-2-carboxamide (CID 91797119) is 4-(hydroxymethyl)-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]pyridine-2-carboxamide?
The canonical SMILES for 4-(hydroxymethyl)-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]pyridine-2-carboxamide is O=C(N[C@@H]1CCOC[C@H]1OCc1cscn1)c1cc(CO)ccn1.
What is the InChIKey of 4-(hydroxymethyl)-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]pyridine-2-carboxamide?
The InChIKey is KZQCIJGXIMZXKQ-UKRRQHHQSA-N. The full InChI is InChI=1S/C16H19N3O4S/c20-6-11-1-3-17-14(5-11)16(21)19-13-2-4-22-8-15(13)23-7-12-9-24-10-18-12/h1,3,5,9-10,13,15,20H,2,4,6-8H2,(H,19,21)/t13-,15-/m1/s1.
What are the key properties of 4-(hydroxymethyl)-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]pyridine-2-carboxamide?
4-(hydroxymethyl)-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]pyridine-2-carboxamide has a molecular weight of 349.41 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-[(3S,4R)-3-(1,3-thiazol-4-ylmethoxy)oxan-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 91797119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).