2-[[6-(ethoxymethyl)-2-pyridinyl]amino]-5-[2-fluoro-4-(2-hydroxypropyl)phenyl]thiophene-3-carboxamide

C22H24FN3O3S — CID 68736644

IUPAC2-[[6-(ethoxymethyl)-2-pyridinyl]amino]-5-[2-fluoro-4-(2-hydroxypropyl)phenyl]thiophene-3-carboxamide
SMILESCCOCc1cccc(Nc2sc(-c3ccc(CC(C)O)cc3F)cc2C(N)=O)n1
InChIInChI=1S/C22H24FN3O3S/c1-3-29-12-15-5-4-6-20(25-15)26-22-17(21(24)28)11-19(30-22)16-8-7-14(9-13(2)27)10-18(16)23/h4-8,10-11,13,27H,3,9,12H2,1-2H3,(H2,24,28)(H,25,26)
InChIKeyHUNDEAPQQXRBPO-UHFFFAOYSA-N
MW429.52 g/mol
LogP4.25
Rot. Bonds9

About 2-[[6-(ethoxymethyl)-2-pyridinyl]amino]-5-[2-fluoro-4-(2-hydroxypropyl)phenyl]thiophene-3-carboxamide

2-[[6-(ethoxymethyl)-2-pyridinyl]amino]-5-[2-fluoro-4-(2-hydroxypropyl)phenyl]thiophene-3-carboxamide (PubChem CID 68736644) has the molecular formula C22H24FN3O3S and a molecular weight of 429.52 g/mol. Its IUPAC name is 2-[[6-(ethoxymethyl)-2-pyridinyl]amino]-5-[2-fluoro-4-(2-hydroxypropyl)phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[6-(ethoxymethyl)-2-pyridinyl]amino]-5-[2-fluoro-4-(2-hydroxypropyl)phenyl]thiophene-3-carboxamide
PubChem CID68736644
Molecular FormulaC22H24FN3O3S
Molecular Weight429.52 g/mol
Exact Mass429.15
IUPAC Name2-[[6-(ethoxymethyl)-2-pyridinyl]amino]-5-[2-fluoro-4-(2-hydroxypropyl)phenyl]thiophene-3-carboxamide
SMILESCCOCc1cccc(Nc2sc(-c3ccc(CC(C)O)cc3F)cc2C(N)=O)n1
InChIInChI=1S/C22H24FN3O3S/c1-3-29-12-15-5-4-6-20(25-15)26-22-17(21(24)28)11-19(30-22)16-8-7-14(9-13(2)27)10-18(16)23/h4-8,10-11,13,27H,3,9,12H2,1-2H3,(H2,24,28)(H,25,26)
InChIKeyHUNDEAPQQXRBPO-UHFFFAOYSA-N
XLogP4.25
TPSA97.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[6-(ethoxymethyl)-2-pyridinyl]amino]-5-[2-fluoro-4-(2-hydroxypropyl)phenyl]thiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(ethoxymethyl)-2-pyridinyl]amino]-5-[2-fluoro-4-(2-hydroxypropyl)phenyl]thiophene-3-carboxamide?
The IUPAC name of 2-[[6-(ethoxymethyl)-2-pyridinyl]amino]-5-[2-fluoro-4-(2-hydroxypropyl)phenyl]thiophene-3-carboxamide (CID 68736644) is 2-[[6-(ethoxymethyl)-2-pyridinyl]amino]-5-[2-fluoro-4-(2-hydroxypropyl)phenyl]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[6-(ethoxymethyl)-2-pyridinyl]amino]-5-[2-fluoro-4-(2-hydroxypropyl)phenyl]thiophene-3-carboxamide?
The canonical SMILES for 2-[[6-(ethoxymethyl)-2-pyridinyl]amino]-5-[2-fluoro-4-(2-hydroxypropyl)phenyl]thiophene-3-carboxamide is CCOCc1cccc(Nc2sc(-c3ccc(CC(C)O)cc3F)cc2C(N)=O)n1.
What is the InChIKey of 2-[[6-(ethoxymethyl)-2-pyridinyl]amino]-5-[2-fluoro-4-(2-hydroxypropyl)phenyl]thiophene-3-carboxamide?
The InChIKey is HUNDEAPQQXRBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O3S/c1-3-29-12-15-5-4-6-20(25-15)26-22-17(21(24)28)11-19(30-22)16-8-7-14(9-13(2)27)10-18(16)23/h4-8,10-11,13,27H,3,9,12H2,1-2H3,(H2,24,28)(H,25,26).
What are the key properties of 2-[[6-(ethoxymethyl)-2-pyridinyl]amino]-5-[2-fluoro-4-(2-hydroxypropyl)phenyl]thiophene-3-carboxamide?
2-[[6-(ethoxymethyl)-2-pyridinyl]amino]-5-[2-fluoro-4-(2-hydroxypropyl)phenyl]thiophene-3-carboxamide has a molecular weight of 429.52 g/mol, XLogP of 4.25, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(ethoxymethyl)-2-pyridinyl]amino]-5-[2-fluoro-4-(2-hydroxypropyl)phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 68736644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).