4-[(2-methyl-4-pyridinyl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]phenyl]benzamide

C25H23N5O — CID 157044269

IUPAC4-[(2-methyl-4-pyridinyl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]phenyl]benzamide
SMILESCc1cc(Nc2ccc(NC(=O)c3ccc(Nc4ccnc(C)c4)cc3)cc2)ccn1
InChIInChI=1S/C25H23N5O/c1-17-15-23(11-13-26-17)28-20-5-3-19(4-6-20)25(31)30-22-9-7-21(8-10-22)29-24-12-14-27-18(2)16-24/h3-16H,1-2H3,(H,26,28)(H,27,29)(H,30,31)
InChIKeyMMMYCPGXFPOKSO-UHFFFAOYSA-N
MW409.49 g/mol
LogP5.83
Rot. Bonds6

About 4-[(2-methyl-4-pyridinyl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]phenyl]benzamide

4-[(2-methyl-4-pyridinyl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]phenyl]benzamide (PubChem CID 157044269) has the molecular formula C25H23N5O and a molecular weight of 409.49 g/mol. Its IUPAC name is 4-[(2-methyl-4-pyridinyl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]phenyl]benzamide.

Molecular Properties

Compound Name4-[(2-methyl-4-pyridinyl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]phenyl]benzamide
PubChem CID157044269
Molecular FormulaC25H23N5O
Molecular Weight409.49 g/mol
Exact Mass409.19
IUPAC Name4-[(2-methyl-4-pyridinyl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]phenyl]benzamide
SMILESCc1cc(Nc2ccc(NC(=O)c3ccc(Nc4ccnc(C)c4)cc3)cc2)ccn1
InChIInChI=1S/C25H23N5O/c1-17-15-23(11-13-26-17)28-20-5-3-19(4-6-20)25(31)30-22-9-7-21(8-10-22)29-24-12-14-27-18(2)16-24/h3-16H,1-2H3,(H,26,28)(H,27,29)(H,30,31)
InChIKeyMMMYCPGXFPOKSO-UHFFFAOYSA-N
XLogP5.83
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.49
LogP ≤ 55.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[(2-methyl-4-pyridinyl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]phenyl]benzamide with MolForge

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Related Compounds

4-[(2-methyl-4-pyridinyl)amino]-N-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]benzamide
CID 157044209
4-(methylamino)-N-(2-methyl-4-pyridinyl)benzamide
CID 79240980
4-[(2-methyl-4-pyridinyl)amino]benzamide
CID 90134463
4-[(3-chloro-2-methyl-4-pyridinyl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]-2-pyridinyl]benzamide;ethane
CID 157043483
4-amino-3-methyl-N-(2-methyl-4-pyridinyl)benzamide
CID 79234917
4-(4-acetylanilino)-N-(4-acetylphenyl)pyridine-2-carboxamide
CID 109222150
6-[(2-methyl-4-pyridinyl)amino]-N-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]pyridine-3-carboxamide
CID 157044292
3-amino-N-[3-[(2-methyl-4-pyridinyl)amino]phenyl]benzamide
CID 157042720
1-(4-acetylphenyl)-3-(2-methyl-4-pyridinyl)urea
CID 84521860
3-[(6-fluoroquinolin-4-yl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]phenyl]benzamide
CID 166833012
4-methoxy-N-[4-(2-methyl-4-pyridinyl)phenyl]benzamide
CID 42640422
2-(methylamino)-N-(2-methyl-4-pyridinyl)pyridine-4-carboxamide
CID 79240155

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-4-pyridinyl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]phenyl]benzamide?
The IUPAC name of 4-[(2-methyl-4-pyridinyl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]phenyl]benzamide (CID 157044269) is 4-[(2-methyl-4-pyridinyl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]phenyl]benzamide.
What is the SMILES notation for 4-[(2-methyl-4-pyridinyl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]phenyl]benzamide?
The canonical SMILES for 4-[(2-methyl-4-pyridinyl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]phenyl]benzamide is Cc1cc(Nc2ccc(NC(=O)c3ccc(Nc4ccnc(C)c4)cc3)cc2)ccn1.
What is the InChIKey of 4-[(2-methyl-4-pyridinyl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]phenyl]benzamide?
The InChIKey is MMMYCPGXFPOKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O/c1-17-15-23(11-13-26-17)28-20-5-3-19(4-6-20)25(31)30-22-9-7-21(8-10-22)29-24-12-14-27-18(2)16-24/h3-16H,1-2H3,(H,26,28)(H,27,29)(H,30,31).
What are the key properties of 4-[(2-methyl-4-pyridinyl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]phenyl]benzamide?
4-[(2-methyl-4-pyridinyl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]phenyl]benzamide has a molecular weight of 409.49 g/mol, XLogP of 5.83, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-4-pyridinyl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]phenyl]benzamide is sourced from PubChem (CID 157044269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).