4-(1-benzothiophen-7-ylmethylamino)-6-[4-[(1-methylcyclopropanecarbonyl)amino]anilino]pyridine-3-carboxamide

C26H25N5O2S — CID 67503172

IUPAC4-(1-benzothiophen-7-ylmethylamino)-6-[4-[(1-methylcyclopropanecarbonyl)amino]anilino]pyridine-3-carboxamide
SMILESCC1(C(=O)Nc2ccc(Nc3cc(NCc4cccc5ccsc45)c(C(N)=O)cn3)cc2)CC1
InChIInChI=1S/C26H25N5O2S/c1-26(10-11-26)25(33)31-19-7-5-18(6-8-19)30-22-13-21(20(15-29-22)24(27)32)28-14-17-4-2-3-16-9-12-34-23(16)17/h2-9,12-13,15H,10-11,14H2,1H3,(H2,27,32)(H,31,33)(H2,28,29,30)
InChIKeyLPXUHKBZRJLNAW-UHFFFAOYSA-N
MW471.59 g/mol
LogP5.49
Rot. Bonds8

About 4-(1-benzothiophen-7-ylmethylamino)-6-[4-[(1-methylcyclopropanecarbonyl)amino]anilino]pyridine-3-carboxamide

4-(1-benzothiophen-7-ylmethylamino)-6-[4-[(1-methylcyclopropanecarbonyl)amino]anilino]pyridine-3-carboxamide (PubChem CID 67503172) has the molecular formula C26H25N5O2S and a molecular weight of 471.59 g/mol. Its IUPAC name is 4-(1-benzothiophen-7-ylmethylamino)-6-[4-[(1-methylcyclopropanecarbonyl)amino]anilino]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(1-benzothiophen-7-ylmethylamino)-6-[4-[(1-methylcyclopropanecarbonyl)amino]anilino]pyridine-3-carboxamide
PubChem CID67503172
Molecular FormulaC26H25N5O2S
Molecular Weight471.59 g/mol
Exact Mass471.17
IUPAC Name4-(1-benzothiophen-7-ylmethylamino)-6-[4-[(1-methylcyclopropanecarbonyl)amino]anilino]pyridine-3-carboxamide
SMILESCC1(C(=O)Nc2ccc(Nc3cc(NCc4cccc5ccsc45)c(C(N)=O)cn3)cc2)CC1
InChIInChI=1S/C26H25N5O2S/c1-26(10-11-26)25(33)31-19-7-5-18(6-8-19)30-22-13-21(20(15-29-22)24(27)32)28-14-17-4-2-3-16-9-12-34-23(16)17/h2-9,12-13,15H,10-11,14H2,1H3,(H2,27,32)(H,31,33)(H2,28,29,30)
InChIKeyLPXUHKBZRJLNAW-UHFFFAOYSA-N
XLogP5.49
TPSA109.14 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.59
LogP ≤ 55.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 4-(1-benzothiophen-7-ylmethylamino)-6-[4-[(1-methylcyclopropanecarbonyl)amino]anilino]pyridine-3-carboxamide with MolForge

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Related Compounds

6-(4-acetamidoanilino)-4-[1-benzothiophen-7-yl(methyl)amino]pyridine-3-carboxamide
CID 67502211
6-[4-(4-acetylpiperazin-1-yl)anilino]-4-(thiophen-2-ylmethylamino)pyridine-3-carboxamide
CID 67501584
4-(benzylamino)-6-[4-(propan-2-ylcarbamoylamino)anilino]pyridine-3-carboxamide
CID 67423689
6-[4-(oxan-4-yl)anilino]-4-(1,3-thiazol-2-ylmethylamino)pyridine-3-carboxamide
CID 67502648
6-[4-(aminomethyl)anilino]-4-[(3,5-difluorophenyl)methylamino]pyridine-3-carboxamide
CID 58450737
6-[4-(azetidine-1-carbonyl)-3-methylanilino]-4-(1H-indol-7-ylmethylamino)pyridine-3-carboxamide
CID 67502269
6-[4-(azetidin-3-yl)anilino]-4-(benzylamino)pyridine-3-carboxamide
CID 67501790
4-(benzylamino)-6-[4-(2-oxo-2-piperidin-4-ylethyl)anilino]pyridine-3-carboxamide
CID 58450567
6-[4-(azetidine-1-carbonyl)-3-methylanilino]-4-[(2,3-difluorophenyl)methylamino]pyridine-3-carboxamide
CID 67501703
4-[(2,3-difluorophenyl)methylamino]-6-[4-(1-pyridin-2-ylpiperidin-4-yl)anilino]pyridine-3-carboxamide
CID 67502230
4-(benzylamino)-6-[4-(4-methyl-1,4-diazepan-1-yl)anilino]pyridine-3-carboxamide
CID 67422223
2-[[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]-4-pyridinyl]amino]methyl]benzamide
CID 90842896

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzothiophen-7-ylmethylamino)-6-[4-[(1-methylcyclopropanecarbonyl)amino]anilino]pyridine-3-carboxamide?
The IUPAC name of 4-(1-benzothiophen-7-ylmethylamino)-6-[4-[(1-methylcyclopropanecarbonyl)amino]anilino]pyridine-3-carboxamide (CID 67503172) is 4-(1-benzothiophen-7-ylmethylamino)-6-[4-[(1-methylcyclopropanecarbonyl)amino]anilino]pyridine-3-carboxamide.
What is the SMILES notation for 4-(1-benzothiophen-7-ylmethylamino)-6-[4-[(1-methylcyclopropanecarbonyl)amino]anilino]pyridine-3-carboxamide?
The canonical SMILES for 4-(1-benzothiophen-7-ylmethylamino)-6-[4-[(1-methylcyclopropanecarbonyl)amino]anilino]pyridine-3-carboxamide is CC1(C(=O)Nc2ccc(Nc3cc(NCc4cccc5ccsc45)c(C(N)=O)cn3)cc2)CC1.
What is the InChIKey of 4-(1-benzothiophen-7-ylmethylamino)-6-[4-[(1-methylcyclopropanecarbonyl)amino]anilino]pyridine-3-carboxamide?
The InChIKey is LPXUHKBZRJLNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2S/c1-26(10-11-26)25(33)31-19-7-5-18(6-8-19)30-22-13-21(20(15-29-22)24(27)32)28-14-17-4-2-3-16-9-12-34-23(16)17/h2-9,12-13,15H,10-11,14H2,1H3,(H2,27,32)(H,31,33)(H2,28,29,30).
What are the key properties of 4-(1-benzothiophen-7-ylmethylamino)-6-[4-[(1-methylcyclopropanecarbonyl)amino]anilino]pyridine-3-carboxamide?
4-(1-benzothiophen-7-ylmethylamino)-6-[4-[(1-methylcyclopropanecarbonyl)amino]anilino]pyridine-3-carboxamide has a molecular weight of 471.59 g/mol, XLogP of 5.49, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzothiophen-7-ylmethylamino)-6-[4-[(1-methylcyclopropanecarbonyl)amino]anilino]pyridine-3-carboxamide is sourced from PubChem (CID 67503172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).