6-[[3-carbamoyl-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophen-2-yl]amino]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide

C25H26F2N4O4S — CID 59525616

IUPAC6-[[3-carbamoyl-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophen-2-yl]amino]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
SMILESCC(C)(O)c1cc(F)c(-c2cc(C(N)=O)c(Nc3cccc(C(=O)NCC4CCCO4)n3)s2)c(F)c1
InChIInChI=1S/C25H26F2N4O4S/c1-25(2,34)13-9-16(26)21(17(27)10-13)19-11-15(22(28)32)24(36-19)31-20-7-3-6-18(30-20)23(33)29-12-14-5-4-8-35-14/h3,6-7,9-11,14,34H,4-5,8,12H2,1-2H3,(H2,28,32)(H,29,33)(H,30,31)
InChIKeyGIOLHTGDTQJENQ-UHFFFAOYSA-N
MW516.57 g/mol
LogP4.07
Rot. Bonds8

About 6-[[3-carbamoyl-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophen-2-yl]amino]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide

6-[[3-carbamoyl-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophen-2-yl]amino]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide (PubChem CID 59525616) has the molecular formula C25H26F2N4O4S and a molecular weight of 516.57 g/mol. Its IUPAC name is 6-[[3-carbamoyl-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophen-2-yl]amino]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[[3-carbamoyl-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophen-2-yl]amino]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
PubChem CID59525616
Molecular FormulaC25H26F2N4O4S
Molecular Weight516.57 g/mol
Exact Mass516.16
IUPAC Name6-[[3-carbamoyl-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophen-2-yl]amino]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
SMILESCC(C)(O)c1cc(F)c(-c2cc(C(N)=O)c(Nc3cccc(C(=O)NCC4CCCO4)n3)s2)c(F)c1
InChIInChI=1S/C25H26F2N4O4S/c1-25(2,34)13-9-16(26)21(17(27)10-13)19-11-15(22(28)32)24(36-19)31-20-7-3-6-18(30-20)23(33)29-12-14-5-4-8-35-14/h3,6-7,9-11,14,34H,4-5,8,12H2,1-2H3,(H2,28,32)(H,29,33)(H,30,31)
InChIKeyGIOLHTGDTQJENQ-UHFFFAOYSA-N
XLogP4.07
TPSA126.57 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.57
LogP ≤ 54.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 6-[[3-carbamoyl-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophen-2-yl]amino]-N-(oxolan-2-ylmethyl)pyridine-2-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

6-[[3-carbamoyl-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophen-2-yl]amino]-N-[(3-methyloxetan-3-yl)methyl]pyridine-2-carboxamide
CID 59526191
5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-[(1R)-2-hydroxy-1-morpholin-4-ylethyl]-2-pyridinyl]amino]thiophene-3-carboxamide
CID 68670939
2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 4668561
6-N-tert-butyl-2-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096177
6-hydrazinyl-N-(oxan-2-ylmethyl)pyridine-2-carboxamide
CID 62237897
6-(oxolan-2-ylmethylcarbamoylamino)pyridine-2-carboxamide
CID 167876369
N-(oxolan-2-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109115094
6-N-(2,4-dimethylphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096195
2-N-(3-methylbutyl)-6-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096180
2-N-[(3-methylphenyl)methyl]-6-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096140
6-(2-fluoroanilino)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4-carboxamide
CID 112853587
6-N-(3-chlorophenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096215

Frequently Asked Questions

What is the IUPAC name of 6-[[3-carbamoyl-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophen-2-yl]amino]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 6-[[3-carbamoyl-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophen-2-yl]amino]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide (CID 59525616) is 6-[[3-carbamoyl-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophen-2-yl]amino]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-[[3-carbamoyl-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophen-2-yl]amino]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 6-[[3-carbamoyl-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophen-2-yl]amino]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide is CC(C)(O)c1cc(F)c(-c2cc(C(N)=O)c(Nc3cccc(C(=O)NCC4CCCO4)n3)s2)c(F)c1.
What is the InChIKey of 6-[[3-carbamoyl-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophen-2-yl]amino]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide?
The InChIKey is GIOLHTGDTQJENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F2N4O4S/c1-25(2,34)13-9-16(26)21(17(27)10-13)19-11-15(22(28)32)24(36-19)31-20-7-3-6-18(30-20)23(33)29-12-14-5-4-8-35-14/h3,6-7,9-11,14,34H,4-5,8,12H2,1-2H3,(H2,28,32)(H,29,33)(H,30,31).
What are the key properties of 6-[[3-carbamoyl-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophen-2-yl]amino]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide?
6-[[3-carbamoyl-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophen-2-yl]amino]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide has a molecular weight of 516.57 g/mol, XLogP of 4.07, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-carbamoyl-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophen-2-yl]amino]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 59525616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).