3-methyl-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]thiophene-2-carboxamide

C16H17N3OS — CID 53145024

IUPAC3-methyl-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NCCc1cn(C)c2ncccc12
InChIInChI=1S/C16H17N3OS/c1-11-6-9-21-14(11)16(20)18-8-5-12-10-19(2)15-13(12)4-3-7-17-15/h3-4,6-7,9-10H,5,8H2,1-2H3,(H,18,20)
InChIKeyCKFHXABUQKRWGP-UHFFFAOYSA-N
MW299.40 g/mol
LogP2.92
Rot. Bonds4

About 3-methyl-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]thiophene-2-carboxamide

3-methyl-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]thiophene-2-carboxamide (PubChem CID 53145024) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 3-methyl-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]thiophene-2-carboxamide
PubChem CID53145024
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name3-methyl-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NCCc1cn(C)c2ncccc12
InChIInChI=1S/C16H17N3OS/c1-11-6-9-21-14(11)16(20)18-8-5-12-10-19(2)15-13(12)4-3-7-17-15/h3-4,6-7,9-10H,5,8H2,1-2H3,(H,18,20)
InChIKeyCKFHXABUQKRWGP-UHFFFAOYSA-N
XLogP2.92
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 3-methyl-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]thiophene-2-carboxamide (CID 53145024) is 3-methyl-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 3-methyl-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]thiophene-2-carboxamide is Cc1ccsc1C(=O)NCCc1cn(C)c2ncccc12.
What is the InChIKey of 3-methyl-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is CKFHXABUQKRWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-11-6-9-21-14(11)16(20)18-8-5-12-10-19(2)15-13(12)4-3-7-17-15/h3-4,6-7,9-10H,5,8H2,1-2H3,(H,18,20).
What are the key properties of 3-methyl-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]thiophene-2-carboxamide?
3-methyl-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 299.40 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 53145024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).