N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-4-thiophen-2-ylbenzamide

C26H20N6OS — CID 122316024

IUPACN-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-4-thiophen-2-ylbenzamide
SMILESO=C(Nc1ccc(Nc2cc(Nc3ccccn3)ncn2)cc1)c1ccc(-c2cccs2)cc1
InChIInChI=1S/C26H20N6OS/c33-26(19-8-6-18(7-9-19)22-4-3-15-34-22)31-21-12-10-20(11-13-21)30-24-16-25(29-17-28-24)32-23-5-1-2-14-27-23/h1-17H,(H,31,33)(H2,27,28,29,30,32)
InChIKeyQZOOGKXEAOSNDU-UHFFFAOYSA-N
MW464.55 g/mol
LogP6.34
Rot. Bonds7

About N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-4-thiophen-2-ylbenzamide

N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-4-thiophen-2-ylbenzamide (PubChem CID 122316024) has the molecular formula C26H20N6OS and a molecular weight of 464.55 g/mol. Its IUPAC name is N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-4-thiophen-2-ylbenzamide.

Molecular Properties

Compound NameN-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-4-thiophen-2-ylbenzamide
PubChem CID122316024
Molecular FormulaC26H20N6OS
Molecular Weight464.55 g/mol
Exact Mass464.14
IUPAC NameN-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-4-thiophen-2-ylbenzamide
SMILESO=C(Nc1ccc(Nc2cc(Nc3ccccn3)ncn2)cc1)c1ccc(-c2cccs2)cc1
InChIInChI=1S/C26H20N6OS/c33-26(19-8-6-18(7-9-19)22-4-3-15-34-22)31-21-12-10-20(11-13-21)30-24-16-25(29-17-28-24)32-23-5-1-2-14-27-23/h1-17H,(H,31,33)(H2,27,28,29,30,32)
InChIKeyQZOOGKXEAOSNDU-UHFFFAOYSA-N
XLogP6.34
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.55
LogP ≤ 56.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-4-thiophen-2-ylbenzamide with MolForge

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Related Compounds

2-chloro-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]benzamide
CID 122315780
3-fluoro-4-methoxy-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]benzamide
CID 122316013
6-ethoxy-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]pyridine-3-carboxamide
CID 122316061
1-(4-tert-butylphenyl)-3-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]urea
CID 122316135
N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]pyridine-4-carboxamide
CID 122317045
N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]-4-thiophen-2-ylbenzamide
CID 122315171
4-tert-butyl-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]benzamide
CID 122316986
N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-4-thiophen-2-ylbenzamide
CID 122322025
N-naphthalen-2-yl-4-thiophen-2-ylbenzamide
CID 59673380
2,4-difluoro-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]benzamide
CID 122315819
N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide
CID 122315829
6-N-phenyl-4-N-pyridin-2-ylpyrimidine-4,6-diamine
CID 117085780

Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-4-thiophen-2-ylbenzamide?
The IUPAC name of N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-4-thiophen-2-ylbenzamide (CID 122316024) is N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-4-thiophen-2-ylbenzamide.
What is the SMILES notation for N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-4-thiophen-2-ylbenzamide?
The canonical SMILES for N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-4-thiophen-2-ylbenzamide is O=C(Nc1ccc(Nc2cc(Nc3ccccn3)ncn2)cc1)c1ccc(-c2cccs2)cc1.
What is the InChIKey of N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-4-thiophen-2-ylbenzamide?
The InChIKey is QZOOGKXEAOSNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N6OS/c33-26(19-8-6-18(7-9-19)22-4-3-15-34-22)31-21-12-10-20(11-13-21)30-24-16-25(29-17-28-24)32-23-5-1-2-14-27-23/h1-17H,(H,31,33)(H2,27,28,29,30,32).
What are the key properties of N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-4-thiophen-2-ylbenzamide?
N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-4-thiophen-2-ylbenzamide has a molecular weight of 464.55 g/mol, XLogP of 6.34, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-4-thiophen-2-ylbenzamide is sourced from PubChem (CID 122316024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).