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

C19H23N3O2S — CID 71093543

IUPAC5-cyclopropyl-6-(cyclopropylmethoxy)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide
SMILESCC(C)(NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)c1nccs1
InChIInChI=1S/C19H23N3O2S/c1-19(2,18-20-9-10-25-18)22-16(23)15-8-7-14(13-5-6-13)17(21-15)24-11-12-3-4-12/h7-10,12-13H,3-6,11H2,1-2H3,(H,22,23)
InChIKeyMCGMVAFPXXKMBP-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.87
Rot. Bonds7

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

5-cyclopropyl-6-(cyclopropylmethoxy)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide (PubChem CID 71093543) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-6-(cyclopropylmethoxy)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide
PubChem CID71093543
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name5-cyclopropyl-6-(cyclopropylmethoxy)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide
SMILESCC(C)(NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)c1nccs1
InChIInChI=1S/C19H23N3O2S/c1-19(2,18-20-9-10-25-18)22-16(23)15-8-7-14(13-5-6-13)17(21-15)24-11-12-3-4-12/h7-10,12-13H,3-6,11H2,1-2H3,(H,22,23)
InChIKeyMCGMVAFPXXKMBP-UHFFFAOYSA-N
XLogP3.87
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide?
The IUPAC name of 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide (CID 71093543) is 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide is CC(C)(NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)c1nccs1.
What is the InChIKey of 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide?
The InChIKey is MCGMVAFPXXKMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-19(2,18-20-9-10-25-18)22-16(23)15-8-7-14(13-5-6-13)17(21-15)24-11-12-3-4-12/h7-10,12-13H,3-6,11H2,1-2H3,(H,22,23).
What are the key properties of 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide?
5-cyclopropyl-6-(cyclopropylmethoxy)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide has a molecular weight of 357.48 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-6-(cyclopropylmethoxy)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 71093543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).