6-methoxy-N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide

C21H20N4O3S — CID 53347952

IUPAC6-methoxy-N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
SMILESCCC(=O)N1CCc2cc(-c3csc(NC(=O)c4cccc(OC)n4)n3)ccc21
InChIInChI=1S/C21H20N4O3S/c1-3-19(26)25-10-9-14-11-13(7-8-17(14)25)16-12-29-21(23-16)24-20(27)15-5-4-6-18(22-15)28-2/h4-8,11-12H,3,9-10H2,1-2H3,(H,23,24,27)
InChIKeyYBMRVGRDMZQSHO-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.77
Rot. Bonds5

About 6-methoxy-N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide

6-methoxy-N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide (PubChem CID 53347952) has the molecular formula C21H20N4O3S and a molecular weight of 408.48 g/mol. Its IUPAC name is 6-methoxy-N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
PubChem CID53347952
Molecular FormulaC21H20N4O3S
Molecular Weight408.48 g/mol
Exact Mass408.13
IUPAC Name6-methoxy-N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
SMILESCCC(=O)N1CCc2cc(-c3csc(NC(=O)c4cccc(OC)n4)n3)ccc21
InChIInChI=1S/C21H20N4O3S/c1-3-19(26)25-10-9-14-11-13(7-8-17(14)25)16-12-29-21(23-16)24-20(27)15-5-4-6-18(22-15)28-2/h4-8,11-12H,3,9-10H2,1-2H3,(H,23,24,27)
InChIKeyYBMRVGRDMZQSHO-UHFFFAOYSA-N
XLogP3.77
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The IUPAC name of 6-methoxy-N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide (CID 53347952) is 6-methoxy-N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-methoxy-N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-methoxy-N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide is CCC(=O)N1CCc2cc(-c3csc(NC(=O)c4cccc(OC)n4)n3)ccc21.
What is the InChIKey of 6-methoxy-N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The InChIKey is YBMRVGRDMZQSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3S/c1-3-19(26)25-10-9-14-11-13(7-8-17(14)25)16-12-29-21(23-16)24-20(27)15-5-4-6-18(22-15)28-2/h4-8,11-12H,3,9-10H2,1-2H3,(H,23,24,27).
What are the key properties of 6-methoxy-N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide?
6-methoxy-N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide has a molecular weight of 408.48 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 53347952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).