2-(oxan-4-ylmethoxy)-N-(1,3-thiazol-2-yl)pyridine-4-carboxamide

C15H17N3O3S — CID 121017397

IUPAC2-(oxan-4-ylmethoxy)-N-(1,3-thiazol-2-yl)pyridine-4-carboxamide
SMILESO=C(Nc1nccs1)c1ccnc(OCC2CCOCC2)c1
InChIInChI=1S/C15H17N3O3S/c19-14(18-15-17-5-8-22-15)12-1-4-16-13(9-12)21-10-11-2-6-20-7-3-11/h1,4-5,8-9,11H,2-3,6-7,10H2,(H,17,18,19)
InChIKeySGBFNJDQNYREAY-UHFFFAOYSA-N
MW319.39 g/mol
LogP2.60
Rot. Bonds5

About 2-(oxan-4-ylmethoxy)-N-(1,3-thiazol-2-yl)pyridine-4-carboxamide

2-(oxan-4-ylmethoxy)-N-(1,3-thiazol-2-yl)pyridine-4-carboxamide (PubChem CID 121017397) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is 2-(oxan-4-ylmethoxy)-N-(1,3-thiazol-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(oxan-4-ylmethoxy)-N-(1,3-thiazol-2-yl)pyridine-4-carboxamide
PubChem CID121017397
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name2-(oxan-4-ylmethoxy)-N-(1,3-thiazol-2-yl)pyridine-4-carboxamide
SMILESO=C(Nc1nccs1)c1ccnc(OCC2CCOCC2)c1
InChIInChI=1S/C15H17N3O3S/c19-14(18-15-17-5-8-22-15)12-1-4-16-13(9-12)21-10-11-2-6-20-7-3-11/h1,4-5,8-9,11H,2-3,6-7,10H2,(H,17,18,19)
InChIKeySGBFNJDQNYREAY-UHFFFAOYSA-N
XLogP2.60
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-fluorophenoxy)ethyl]-2-(oxan-4-ylmethoxy)pyridine-4-carboxamide
CID 121017381
[2-(oxan-4-ylmethoxy)-4-pyridinyl]-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 121017408
3-[4-(oxan-4-ylmethylcarbamoyl)phenoxy]-5-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide
CID 11363946
methyl 2-[[6-(oxan-4-ylmethoxy)pyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate
CID 121017376
2-(oxan-4-ylmethoxy)pyridin-4-amine
CID 62381987
N-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-2-(oxan-4-ylmethoxy)pyridine-4-carboxamide
CID 124891971
3-hydroxy-N-(1,3-thiazol-2-yl)benzamide
CID 17362164
2-methylsulfanyl-N-(1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 60564390
2-(oxan-4-ylmethoxy)-1,3-thiazole
CID 126953986
4-[(2-cyclopentylacetyl)amino]-3-methoxy-N-(1,3-thiazol-2-yl)benzamide
CID 11222117
N'-hydroxy-2-(oxolan-3-ylmethoxy)pyridine-4-carboximidamide
CID 136845279
(2S)-N-[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 7268826

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-ylmethoxy)-N-(1,3-thiazol-2-yl)pyridine-4-carboxamide?
The IUPAC name of 2-(oxan-4-ylmethoxy)-N-(1,3-thiazol-2-yl)pyridine-4-carboxamide (CID 121017397) is 2-(oxan-4-ylmethoxy)-N-(1,3-thiazol-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(oxan-4-ylmethoxy)-N-(1,3-thiazol-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-(oxan-4-ylmethoxy)-N-(1,3-thiazol-2-yl)pyridine-4-carboxamide is O=C(Nc1nccs1)c1ccnc(OCC2CCOCC2)c1.
What is the InChIKey of 2-(oxan-4-ylmethoxy)-N-(1,3-thiazol-2-yl)pyridine-4-carboxamide?
The InChIKey is SGBFNJDQNYREAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c19-14(18-15-17-5-8-22-15)12-1-4-16-13(9-12)21-10-11-2-6-20-7-3-11/h1,4-5,8-9,11H,2-3,6-7,10H2,(H,17,18,19).
What are the key properties of 2-(oxan-4-ylmethoxy)-N-(1,3-thiazol-2-yl)pyridine-4-carboxamide?
2-(oxan-4-ylmethoxy)-N-(1,3-thiazol-2-yl)pyridine-4-carboxamide has a molecular weight of 319.39 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-ylmethoxy)-N-(1,3-thiazol-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 121017397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).