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

C21H27N3O2S — CID 71093603

IUPAC5-cyclopentyl-6-(cyclopropylmethoxy)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide
SMILESCC(C)(NC(=O)c1ccc(C2CCCC2)c(OCC2CC2)n1)c1nccs1
InChIInChI=1S/C21H27N3O2S/c1-21(2,20-22-11-12-27-20)24-18(25)17-10-9-16(15-5-3-4-6-15)19(23-17)26-13-14-7-8-14/h9-12,14-15H,3-8,13H2,1-2H3,(H,24,25)
InChIKeyDBLSLABRWLILHO-UHFFFAOYSA-N
MW385.53 g/mol
LogP4.65
Rot. Bonds7

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

5-cyclopentyl-6-(cyclopropylmethoxy)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide (PubChem CID 71093603) has the molecular formula C21H27N3O2S and a molecular weight of 385.53 g/mol. Its IUPAC name is 5-cyclopentyl-6-(cyclopropylmethoxy)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyclopentyl-6-(cyclopropylmethoxy)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide
PubChem CID71093603
Molecular FormulaC21H27N3O2S
Molecular Weight385.53 g/mol
Exact Mass385.18
IUPAC Name5-cyclopentyl-6-(cyclopropylmethoxy)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide
SMILESCC(C)(NC(=O)c1ccc(C2CCCC2)c(OCC2CC2)n1)c1nccs1
InChIInChI=1S/C21H27N3O2S/c1-21(2,20-22-11-12-27-20)24-18(25)17-10-9-16(15-5-3-4-6-15)19(23-17)26-13-14-7-8-14/h9-12,14-15H,3-8,13H2,1-2H3,(H,24,25)
InChIKeyDBLSLABRWLILHO-UHFFFAOYSA-N
XLogP4.65
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-6-(cyclopropylmethoxy)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide?
The IUPAC name of 5-cyclopentyl-6-(cyclopropylmethoxy)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide (CID 71093603) is 5-cyclopentyl-6-(cyclopropylmethoxy)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-cyclopentyl-6-(cyclopropylmethoxy)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-cyclopentyl-6-(cyclopropylmethoxy)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide is CC(C)(NC(=O)c1ccc(C2CCCC2)c(OCC2CC2)n1)c1nccs1.
What is the InChIKey of 5-cyclopentyl-6-(cyclopropylmethoxy)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide?
The InChIKey is DBLSLABRWLILHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2S/c1-21(2,20-22-11-12-27-20)24-18(25)17-10-9-16(15-5-3-4-6-15)19(23-17)26-13-14-7-8-14/h9-12,14-15H,3-8,13H2,1-2H3,(H,24,25).
What are the key properties of 5-cyclopentyl-6-(cyclopropylmethoxy)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide?
5-cyclopentyl-6-(cyclopropylmethoxy)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide has a molecular weight of 385.53 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-6-(cyclopropylmethoxy)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 71093603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).