6-[(5-ethyl-2-pyridinyl)methyl]-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

C21H26N6OS — CID 118762819

IUPAC6-[(5-ethyl-2-pyridinyl)methyl]-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCCc1ccc(CN2CCc3c(C(=O)NC(C)c4nncn4C)csc3C2)nc1
InChIInChI=1S/C21H26N6OS/c1-4-15-5-6-16(22-9-15)10-27-8-7-17-18(12-29-19(17)11-27)21(28)24-14(2)20-25-23-13-26(20)3/h5-6,9,12-14H,4,7-8,10-11H2,1-3H3,(H,24,28)
InChIKeyYUQHOUZRQRPILP-UHFFFAOYSA-N
MW410.55 g/mol
LogP2.88
Rot. Bonds6

About 6-[(5-ethyl-2-pyridinyl)methyl]-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

6-[(5-ethyl-2-pyridinyl)methyl]-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 118762819) has the molecular formula C21H26N6OS and a molecular weight of 410.55 g/mol. Its IUPAC name is 6-[(5-ethyl-2-pyridinyl)methyl]-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(5-ethyl-2-pyridinyl)methyl]-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
PubChem CID118762819
Molecular FormulaC21H26N6OS
Molecular Weight410.55 g/mol
Exact Mass410.19
IUPAC Name6-[(5-ethyl-2-pyridinyl)methyl]-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCCc1ccc(CN2CCc3c(C(=O)NC(C)c4nncn4C)csc3C2)nc1
InChIInChI=1S/C21H26N6OS/c1-4-15-5-6-16(22-9-15)10-27-8-7-17-18(12-29-19(17)11-27)21(28)24-14(2)20-25-23-13-26(20)3/h5-6,9,12-14H,4,7-8,10-11H2,1-3H3,(H,24,28)
InChIKeyYUQHOUZRQRPILP-UHFFFAOYSA-N
XLogP2.88
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.55
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-ethyl-2-pyridinyl)methyl]-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 6-[(5-ethyl-2-pyridinyl)methyl]-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 118762819) is 6-[(5-ethyl-2-pyridinyl)methyl]-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 6-[(5-ethyl-2-pyridinyl)methyl]-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 6-[(5-ethyl-2-pyridinyl)methyl]-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is CCc1ccc(CN2CCc3c(C(=O)NC(C)c4nncn4C)csc3C2)nc1.
What is the InChIKey of 6-[(5-ethyl-2-pyridinyl)methyl]-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The InChIKey is YUQHOUZRQRPILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6OS/c1-4-15-5-6-16(22-9-15)10-27-8-7-17-18(12-29-19(17)11-27)21(28)24-14(2)20-25-23-13-26(20)3/h5-6,9,12-14H,4,7-8,10-11H2,1-3H3,(H,24,28).
What are the key properties of 6-[(5-ethyl-2-pyridinyl)methyl]-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
6-[(5-ethyl-2-pyridinyl)methyl]-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 410.55 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-ethyl-2-pyridinyl)methyl]-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 118762819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).