N-[2-(cyclopropanecarbonylamino)ethyl]-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

C16H16F3N3O2S — CID 37001975

IUPACN-[2-(cyclopropanecarbonylamino)ethyl]-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1c(C(=O)NCCNC(=O)C2CC2)sc2nc(C(F)(F)F)ccc12
InChIInChI=1S/C16H16F3N3O2S/c1-8-10-4-5-11(16(17,18)19)22-15(10)25-12(8)14(24)21-7-6-20-13(23)9-2-3-9/h4-5,9H,2-3,6-7H2,1H3,(H,20,23)(H,21,24)
InChIKeyQWVQUNNJWJXLNV-UHFFFAOYSA-N
MW371.38 g/mol
LogP2.88
Rot. Bonds5

About N-[2-(cyclopropanecarbonylamino)ethyl]-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

N-[2-(cyclopropanecarbonylamino)ethyl]-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 37001975) has the molecular formula C16H16F3N3O2S and a molecular weight of 371.38 g/mol. Its IUPAC name is N-[2-(cyclopropanecarbonylamino)ethyl]-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopropanecarbonylamino)ethyl]-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID37001975
Molecular FormulaC16H16F3N3O2S
Molecular Weight371.38 g/mol
Exact Mass371.09
IUPAC NameN-[2-(cyclopropanecarbonylamino)ethyl]-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1c(C(=O)NCCNC(=O)C2CC2)sc2nc(C(F)(F)F)ccc12
InChIInChI=1S/C16H16F3N3O2S/c1-8-10-4-5-11(16(17,18)19)22-15(10)25-12(8)14(24)21-7-6-20-13(23)9-2-3-9/h4-5,9H,2-3,6-7H2,1H3,(H,20,23)(H,21,24)
InChIKeyQWVQUNNJWJXLNV-UHFFFAOYSA-N
XLogP2.88
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.38
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropanecarbonylamino)ethyl]-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-[2-(cyclopropanecarbonylamino)ethyl]-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (CID 37001975) is N-[2-(cyclopropanecarbonylamino)ethyl]-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(cyclopropanecarbonylamino)ethyl]-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-[2-(cyclopropanecarbonylamino)ethyl]-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is Cc1c(C(=O)NCCNC(=O)C2CC2)sc2nc(C(F)(F)F)ccc12.
What is the InChIKey of N-[2-(cyclopropanecarbonylamino)ethyl]-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is QWVQUNNJWJXLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O2S/c1-8-10-4-5-11(16(17,18)19)22-15(10)25-12(8)14(24)21-7-6-20-13(23)9-2-3-9/h4-5,9H,2-3,6-7H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-[2-(cyclopropanecarbonylamino)ethyl]-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
N-[2-(cyclopropanecarbonylamino)ethyl]-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 371.38 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropanecarbonylamino)ethyl]-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 37001975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).