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

C25H22N4O2 — CID 157044209

IUPAC4-[(2-methyl-4-pyridinyl)amino]-N-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]benzamide
SMILESCc1cc(Nc2ccc(C(=O)Nc3ccc(Oc4ccnc(C)c4)cc3)cc2)ccn1
InChIInChI=1S/C25H22N4O2/c1-17-15-22(11-13-26-17)28-20-5-3-19(4-6-20)25(30)29-21-7-9-23(10-8-21)31-24-12-14-27-18(2)16-24/h3-16H,1-2H3,(H,26,28)(H,29,30)
InChIKeyHVYXDMNCVLMZLZ-UHFFFAOYSA-N
MW410.48 g/mol
LogP5.88
Rot. Bonds6

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

4-[(2-methyl-4-pyridinyl)amino]-N-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]benzamide (PubChem CID 157044209) has the molecular formula C25H22N4O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is 4-[(2-methyl-4-pyridinyl)amino]-N-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]benzamide.

Molecular Properties

Compound Name4-[(2-methyl-4-pyridinyl)amino]-N-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]benzamide
PubChem CID157044209
Molecular FormulaC25H22N4O2
Molecular Weight410.48 g/mol
Exact Mass410.17
IUPAC Name4-[(2-methyl-4-pyridinyl)amino]-N-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]benzamide
SMILESCc1cc(Nc2ccc(C(=O)Nc3ccc(Oc4ccnc(C)c4)cc3)cc2)ccn1
InChIInChI=1S/C25H22N4O2/c1-17-15-22(11-13-26-17)28-20-5-3-19(4-6-20)25(30)29-21-7-9-23(10-8-21)31-24-12-14-27-18(2)16-24/h3-16H,1-2H3,(H,26,28)(H,29,30)
InChIKeyHVYXDMNCVLMZLZ-UHFFFAOYSA-N
XLogP5.88
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.48
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-methyl-4-pyridinyl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]phenyl]benzamide
CID 157044269
6-[(2-methyl-4-pyridinyl)amino]-N-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]pyridine-3-carboxamide
CID 157044292
3-[(2-methyl-4-pyridinyl)amino]-N-(4-phenoxy-2-pyridinyl)benzamide
CID 170002489
4-(methylamino)-N-(2-methyl-4-pyridinyl)benzamide
CID 79240980
4-[(2-methyl-4-pyridinyl)amino]benzamide
CID 90134463
4-methoxy-N-[4-(2-methyl-4-pyridinyl)phenyl]benzamide
CID 42640422
6-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]pyridine-3-carboxamide
CID 157044051
4-[(3-chloro-2-methyl-4-pyridinyl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]-2-pyridinyl]benzamide;ethane
CID 157043483
4-[(3-chloro-2-methyl-4-pyridinyl)amino]-N-(3-pyridin-4-yloxyphenyl)benzamide
CID 157043679
N-[4-[3-[4-(pyridine-4-carbonylamino)phenoxy]phenoxy]phenyl]pyridine-4-carboxamide
CID 1376699
3-[(6-fluoroquinolin-4-yl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]phenyl]benzamide
CID 166833012
4-[[4-[4-[(4-carboxyphenyl)carbamoyl]phenoxy]benzoyl]amino]benzoic acid
CID 1113230

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-4-pyridinyl)amino]-N-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]benzamide?
The IUPAC name of 4-[(2-methyl-4-pyridinyl)amino]-N-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]benzamide (CID 157044209) is 4-[(2-methyl-4-pyridinyl)amino]-N-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]benzamide.
What is the SMILES notation for 4-[(2-methyl-4-pyridinyl)amino]-N-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]benzamide?
The canonical SMILES for 4-[(2-methyl-4-pyridinyl)amino]-N-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]benzamide is Cc1cc(Nc2ccc(C(=O)Nc3ccc(Oc4ccnc(C)c4)cc3)cc2)ccn1.
What is the InChIKey of 4-[(2-methyl-4-pyridinyl)amino]-N-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]benzamide?
The InChIKey is HVYXDMNCVLMZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O2/c1-17-15-22(11-13-26-17)28-20-5-3-19(4-6-20)25(30)29-21-7-9-23(10-8-21)31-24-12-14-27-18(2)16-24/h3-16H,1-2H3,(H,26,28)(H,29,30).
What are the key properties of 4-[(2-methyl-4-pyridinyl)amino]-N-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]benzamide?
4-[(2-methyl-4-pyridinyl)amino]-N-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]benzamide has a molecular weight of 410.48 g/mol, XLogP of 5.88, 6 rotatable bonds, 2 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)oxy]phenyl]benzamide is sourced from PubChem (CID 157044209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).