3-amino-N-(3-ethoxyphenyl)-6-(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide

C22H18FN3O2S — CID 1004107

IUPAC3-amino-N-(3-ethoxyphenyl)-6-(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCCOC1=CC=CC(=C1)NC(=O)C2=C(C3=C(S2)N=C(C=C3)C4=CC=C(C=C4)F)N
InChIInChI=1S/C22H18FN3O2S/c1-2-28-16-5-3-4-15(12-16)25-21(27)20-19(24)17-10-11-18(26-22(17)29-20)13-6-8-14(23)9-7-13/h3-12H,2,24H2,1H3,(H,25,27)
InChIKeyILKGJUVLTWONLM-UHFFFAOYSA-N
MW407.50 g/mol
LogP5.30
Rot. Bonds5

About 3-amino-N-(3-ethoxyphenyl)-6-(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide

3-amino-N-(3-ethoxyphenyl)-6-(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 1004107) has the molecular formula C22H18FN3O2S and a molecular weight of 407.50 g/mol. Its IUPAC name is 3-amino-N-(3-ethoxyphenyl)-6-(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-ethoxyphenyl)-6-(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID1004107
Molecular FormulaC22H18FN3O2S
Molecular Weight407.50 g/mol
Exact Mass407.11
IUPAC Name3-amino-N-(3-ethoxyphenyl)-6-(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCCOC1=CC=CC(=C1)NC(=O)C2=C(C3=C(S2)N=C(C=C3)C4=CC=C(C=C4)F)N
InChIInChI=1S/C22H18FN3O2S/c1-2-28-16-5-3-4-15(12-16)25-21(27)20-19(24)17-10-11-18(26-22(17)29-20)13-6-8-14(23)9-7-13/h3-12H,2,24H2,1H3,(H,25,27)
InChIKeyILKGJUVLTWONLM-UHFFFAOYSA-N
XLogP5.30
TPSA105.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity560

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.50
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

VU0152100
CID 864492
3-amino-N-cyclopropyl-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3324427
3-amino-N-(4-methoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 689989
(3-Amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)(4-methoxyphenyl)methanone
CID 698706
3-amino-6-(3,4-dimethoxyphenyl)-N-[4-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
CID 2017205
3-Amino-N,6-bis(4-methoxyphenyl)-4-(trifluoromethyl)thieno(2,3-B)pyridine-2-carboxamide
CID 1283826
3-amino-N-(2-fluorophenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 926746
3-amino-4-(methoxymethyl)-N-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 1018148
2-[(4-Methoxyphenyl)carbonyl]-5H,6H,7H,8H-thieno[2,3-b]quinolin-3-amine
CID 2345204
2-(3-Methoxybenzoyl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-B]pyridin-3-amine
CID 4137685
5-chloro-N-(4-ethylphenyl)-3-[(2-methoxybenzoyl)amino]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 5302633
3-amino-N-(4-fluorophenyl)-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1002397

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-ethoxyphenyl)-6-(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(3-ethoxyphenyl)-6-(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide (CID 1004107) is 3-amino-N-(3-ethoxyphenyl)-6-(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(3-ethoxyphenyl)-6-(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(3-ethoxyphenyl)-6-(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide is CCOC1=CC=CC(=C1)NC(=O)C2=C(C3=C(S2)N=C(C=C3)C4=CC=C(C=C4)F)N.
What is the InChIKey of 3-amino-N-(3-ethoxyphenyl)-6-(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is ILKGJUVLTWONLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O2S/c1-2-28-16-5-3-4-15(12-16)25-21(27)20-19(24)17-10-11-18(26-22(17)29-20)13-6-8-14(23)9-7-13/h3-12H,2,24H2,1H3,(H,25,27).
What are the key properties of 3-amino-N-(3-ethoxyphenyl)-6-(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-(3-ethoxyphenyl)-6-(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 407.50 g/mol, XLogP of 5.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-ethoxyphenyl)-6-(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 1004107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).