4-[[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]thiophen-2-yl]methoxy]benzamide

C23H20N4O2S — CID 143286815

IUPAC4-[[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]thiophen-2-yl]methoxy]benzamide
SMILESCc1ccnc(Nc2cccc(-c3ccc(COc4ccc(C(N)=O)cc4)s3)n2)c1
InChIInChI=1S/C23H20N4O2S/c1-15-11-12-25-22(13-15)27-21-4-2-3-19(26-21)20-10-9-18(30-20)14-29-17-7-5-16(6-8-17)23(24)28/h2-13H,14H2,1H3,(H2,24,28)(H,25,26,27)
InChIKeyMRNGGRFFLXTHPL-UHFFFAOYSA-N
MW416.51 g/mol
LogP4.94
Rot. Bonds7

About 4-[[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]thiophen-2-yl]methoxy]benzamide

4-[[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]thiophen-2-yl]methoxy]benzamide (PubChem CID 143286815) has the molecular formula C23H20N4O2S and a molecular weight of 416.51 g/mol. Its IUPAC name is 4-[[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]thiophen-2-yl]methoxy]benzamide.

Molecular Properties

Compound Name4-[[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]thiophen-2-yl]methoxy]benzamide
PubChem CID143286815
Molecular FormulaC23H20N4O2S
Molecular Weight416.51 g/mol
Exact Mass416.13
IUPAC Name4-[[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]thiophen-2-yl]methoxy]benzamide
SMILESCc1ccnc(Nc2cccc(-c3ccc(COc4ccc(C(N)=O)cc4)s3)n2)c1
InChIInChI=1S/C23H20N4O2S/c1-15-11-12-25-22(13-15)27-21-4-2-3-19(26-21)20-10-9-18(30-20)14-29-17-7-5-16(6-8-17)23(24)28/h2-13H,14H2,1H3,(H2,24,28)(H,25,26,27)
InChIKeyMRNGGRFFLXTHPL-UHFFFAOYSA-N
XLogP4.94
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.51
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]benzamide;2-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]benzonitrile
CID 67324103
4-[[2-methylpropanoyl-[[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]thiophen-2-yl]methyl]amino]methyl]benzoic acid
CID 58706831
ethyl 3-methyl-3-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]butanoate
CID 58706765
2-methyl-2-[[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]thiophene-2-carbonyl]amino]propanoic acid
CID 58707099
2-(4-hydroxyphenyl)-N-[(1S)-1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]ethyl]acetamide
CID 58706708
2-[(E)-1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]thiophen-2-yl]ethylideneamino]oxyethanol
CID 58706821
N-[(1S)-1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]-2-phenylmethoxyethyl]acetamide
CID 58707069
4-[methyl-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]amino]cyclohexane-1-carboxamide
CID 58707212
4-methyl-1-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 58706817
ethyl 2-[(1S)-1-aminoethyl]-5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazole-4-carboxylate
CID 58706913
(4-hydroxyphenyl)-[4-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]piperidin-1-yl]methanone
CID 58706618
1-[4-[2-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]ethyl]piperidin-1-yl]ethanone
CID 58706583

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]thiophen-2-yl]methoxy]benzamide?
The IUPAC name of 4-[[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]thiophen-2-yl]methoxy]benzamide (CID 143286815) is 4-[[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]thiophen-2-yl]methoxy]benzamide.
What is the SMILES notation for 4-[[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]thiophen-2-yl]methoxy]benzamide?
The canonical SMILES for 4-[[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]thiophen-2-yl]methoxy]benzamide is Cc1ccnc(Nc2cccc(-c3ccc(COc4ccc(C(N)=O)cc4)s3)n2)c1.
What is the InChIKey of 4-[[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]thiophen-2-yl]methoxy]benzamide?
The InChIKey is MRNGGRFFLXTHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2S/c1-15-11-12-25-22(13-15)27-21-4-2-3-19(26-21)20-10-9-18(30-20)14-29-17-7-5-16(6-8-17)23(24)28/h2-13H,14H2,1H3,(H2,24,28)(H,25,26,27).
What are the key properties of 4-[[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]thiophen-2-yl]methoxy]benzamide?
4-[[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]thiophen-2-yl]methoxy]benzamide has a molecular weight of 416.51 g/mol, XLogP of 4.94, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]thiophen-2-yl]methoxy]benzamide is sourced from PubChem (CID 143286815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).