N-(1-amino-2-cyclopropylpropan-2-yl)-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

C16H18F3N3OS — CID 119575709

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1c(C(=O)NC(C)(CN)C2CC2)sc2nc(C(F)(F)F)ccc12
InChIInChI=1S/C16H18F3N3OS/c1-8-10-5-6-11(16(17,18)19)21-14(10)24-12(8)13(23)22-15(2,7-20)9-3-4-9/h5-6,9H,3-4,7,20H2,1-2H3,(H,22,23)
InChIKeyMYUZKUHXSGTBIH-UHFFFAOYSA-N
MW357.40 g/mol
LogP3.48
Rot. Bonds4

About N-(1-amino-2-cyclopropylpropan-2-yl)-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

N-(1-amino-2-cyclopropylpropan-2-yl)-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 119575709) has the molecular formula C16H18F3N3OS and a molecular weight of 357.40 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID119575709
Molecular FormulaC16H18F3N3OS
Molecular Weight357.40 g/mol
Exact Mass357.11
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1c(C(=O)NC(C)(CN)C2CC2)sc2nc(C(F)(F)F)ccc12
InChIInChI=1S/C16H18F3N3OS/c1-8-10-5-6-11(16(17,18)19)21-14(10)24-12(8)13(23)22-15(2,7-20)9-3-4-9/h5-6,9H,3-4,7,20H2,1-2H3,(H,22,23)
InChIKeyMYUZKUHXSGTBIH-UHFFFAOYSA-N
XLogP3.48
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.40
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (CID 119575709) is N-(1-amino-2-cyclopropylpropan-2-yl)-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is Cc1c(C(=O)NC(C)(CN)C2CC2)sc2nc(C(F)(F)F)ccc12.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is MYUZKUHXSGTBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3OS/c1-8-10-5-6-11(16(17,18)19)21-14(10)24-12(8)13(23)22-15(2,7-20)9-3-4-9/h5-6,9H,3-4,7,20H2,1-2H3,(H,22,23).
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 357.40 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 119575709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).