6-(cyclopropylmethoxy)-5-(oxan-4-yl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide

C21H27N3O3S — CID 71105555

IUPAC6-(cyclopropylmethoxy)-5-(oxan-4-yl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide
SMILESCC(C)(NC(=O)c1ccc(C2CCOCC2)c(OCC2CC2)n1)c1nccs1
InChIInChI=1S/C21H27N3O3S/c1-21(2,20-22-9-12-28-20)24-18(25)17-6-5-16(15-7-10-26-11-8-15)19(23-17)27-13-14-3-4-14/h5-6,9,12,14-15H,3-4,7-8,10-11,13H2,1-2H3,(H,24,25)
InChIKeyWUKJRTXYZKDQEN-UHFFFAOYSA-N
MW401.53 g/mol
LogP3.89
Rot. Bonds7

About 6-(cyclopropylmethoxy)-5-(oxan-4-yl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide

6-(cyclopropylmethoxy)-5-(oxan-4-yl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide (PubChem CID 71105555) has the molecular formula C21H27N3O3S and a molecular weight of 401.53 g/mol. Its IUPAC name is 6-(cyclopropylmethoxy)-5-(oxan-4-yl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(cyclopropylmethoxy)-5-(oxan-4-yl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide
PubChem CID71105555
Molecular FormulaC21H27N3O3S
Molecular Weight401.53 g/mol
Exact Mass401.18
IUPAC Name6-(cyclopropylmethoxy)-5-(oxan-4-yl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide
SMILESCC(C)(NC(=O)c1ccc(C2CCOCC2)c(OCC2CC2)n1)c1nccs1
InChIInChI=1S/C21H27N3O3S/c1-21(2,20-22-9-12-28-20)24-18(25)17-6-5-16(15-7-10-26-11-8-15)19(23-17)27-13-14-3-4-14/h5-6,9,12,14-15H,3-4,7-8,10-11,13H2,1-2H3,(H,24,25)
InChIKeyWUKJRTXYZKDQEN-UHFFFAOYSA-N
XLogP3.89
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylmethoxy)-5-(oxan-4-yl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide?
The IUPAC name of 6-(cyclopropylmethoxy)-5-(oxan-4-yl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide (CID 71105555) is 6-(cyclopropylmethoxy)-5-(oxan-4-yl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(cyclopropylmethoxy)-5-(oxan-4-yl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-(cyclopropylmethoxy)-5-(oxan-4-yl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide is CC(C)(NC(=O)c1ccc(C2CCOCC2)c(OCC2CC2)n1)c1nccs1.
What is the InChIKey of 6-(cyclopropylmethoxy)-5-(oxan-4-yl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide?
The InChIKey is WUKJRTXYZKDQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S/c1-21(2,20-22-9-12-28-20)24-18(25)17-6-5-16(15-7-10-26-11-8-15)19(23-17)27-13-14-3-4-14/h5-6,9,12,14-15H,3-4,7-8,10-11,13H2,1-2H3,(H,24,25).
What are the key properties of 6-(cyclopropylmethoxy)-5-(oxan-4-yl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide?
6-(cyclopropylmethoxy)-5-(oxan-4-yl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide has a molecular weight of 401.53 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylmethoxy)-5-(oxan-4-yl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 71105555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).