2-[[6-(2-amino-2-oxoethyl)-2-pyridinyl]amino]-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide

C21H21FN4O3S — CID 68670399

IUPAC2-[[6-(2-amino-2-oxoethyl)-2-pyridinyl]amino]-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide
SMILESCC(C)(O)c1ccc(-c2cc(C(N)=O)c(Nc3cccc(CC(N)=O)n3)s2)c(F)c1
InChIInChI=1S/C21H21FN4O3S/c1-21(2,29)11-6-7-13(15(22)8-11)16-10-14(19(24)28)20(30-16)26-18-5-3-4-12(25-18)9-17(23)27/h3-8,10,29H,9H2,1-2H3,(H2,23,27)(H2,24,28)(H,25,26)
InChIKeyVWCHGRLVRAILGK-UHFFFAOYSA-N
MW428.49 g/mol
LogP3.05
Rot. Bonds7

About 2-[[6-(2-amino-2-oxoethyl)-2-pyridinyl]amino]-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide

2-[[6-(2-amino-2-oxoethyl)-2-pyridinyl]amino]-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide (PubChem CID 68670399) has the molecular formula C21H21FN4O3S and a molecular weight of 428.49 g/mol. Its IUPAC name is 2-[[6-(2-amino-2-oxoethyl)-2-pyridinyl]amino]-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[6-(2-amino-2-oxoethyl)-2-pyridinyl]amino]-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide
PubChem CID68670399
Molecular FormulaC21H21FN4O3S
Molecular Weight428.49 g/mol
Exact Mass428.13
IUPAC Name2-[[6-(2-amino-2-oxoethyl)-2-pyridinyl]amino]-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide
SMILESCC(C)(O)c1ccc(-c2cc(C(N)=O)c(Nc3cccc(CC(N)=O)n3)s2)c(F)c1
InChIInChI=1S/C21H21FN4O3S/c1-21(2,29)11-6-7-13(15(22)8-11)16-10-14(19(24)28)20(30-16)26-18-5-3-4-12(25-18)9-17(23)27/h3-8,10,29H,9H2,1-2H3,(H2,23,27)(H2,24,28)(H,25,26)
InChIKeyVWCHGRLVRAILGK-UHFFFAOYSA-N
XLogP3.05
TPSA131.33 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 53.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-[[6-(2-amino-2-oxoethyl)-2-pyridinyl]amino]-5-[2-fluoro-4-(2-hydroxypropan-2-yl)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

Related Compounds

5-[2,6-Difluoro-4-(1-hydroxy-1-methylethyl)phenyl]-2-({6-[(2-hydroxy-2-methylpropoxy)methyl]pyridin-2-yl}amino)thiophene-3-carboxamide
CID 25110598
5-[4-(2-Hydroxypropan-2-yl)phenyl]-2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]thiophene-3-carboxamide
CID 25124143
2-[(6-Methyl-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide
CID 25127138
5-Phenyl-2-[[6-(trifluoromethyl)pyridin-2-yl]amino]thiophene-3-carboxamide
CID 25127784
5-(2,4-Difluorophenyl)-2-[(6-methyl-2-pyridinyl)amino]thiophene-3-carboxamide
CID 59525628
5-(4-Fluorophenyl)-2-[(6-methyl-2-pyridinyl)amino]thiophene-3-carboxamide
CID 59525688
5-(2-Fluorophenyl)-2-[(6-methyl-2-pyridinyl)amino]thiophene-3-carboxamide
CID 59525717
2-[(6-Methylpyridin-2-yl)amino]-5-[3-(trifluoromethyl)phenyl]thiophene-3-carboxamide
CID 59525728
5-(2,3-Difluorophenyl)-2-[(6-methyl-2-pyridinyl)amino]thiophene-3-carboxamide
CID 59525760
2-[(6-Methylpyridin-2-yl)amino]-5-[4-(trifluoromethyl)phenyl]thiophene-3-carboxamide
CID 59526007
5-(3-Fluorophenyl)-2-[(6-methyl-2-pyridinyl)amino]thiophene-3-carboxamide
CID 59526068
2-[[[(6-Methyl-2-pyridinyl)amino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester
CID 990429

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(2-amino-2-oxoethyl)-2-pyridinyl]amino]-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide?
The IUPAC name of 2-[[6-(2-amino-2-oxoethyl)-2-pyridinyl]amino]-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide (CID 68670399) is 2-[[6-(2-amino-2-oxoethyl)-2-pyridinyl]amino]-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[6-(2-amino-2-oxoethyl)-2-pyridinyl]amino]-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide?
The canonical SMILES for 2-[[6-(2-amino-2-oxoethyl)-2-pyridinyl]amino]-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide is CC(C)(O)c1ccc(-c2cc(C(N)=O)c(Nc3cccc(CC(N)=O)n3)s2)c(F)c1.
What is the InChIKey of 2-[[6-(2-amino-2-oxoethyl)-2-pyridinyl]amino]-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide?
The InChIKey is VWCHGRLVRAILGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O3S/c1-21(2,29)11-6-7-13(15(22)8-11)16-10-14(19(24)28)20(30-16)26-18-5-3-4-12(25-18)9-17(23)27/h3-8,10,29H,9H2,1-2H3,(H2,23,27)(H2,24,28)(H,25,26).
What are the key properties of 2-[[6-(2-amino-2-oxoethyl)-2-pyridinyl]amino]-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide?
2-[[6-(2-amino-2-oxoethyl)-2-pyridinyl]amino]-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide has a molecular weight of 428.49 g/mol, XLogP of 3.05, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(2-amino-2-oxoethyl)-2-pyridinyl]amino]-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 68670399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).