4-[(3-chloro-2-methyl-4-pyridinyl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]-2-pyridinyl]benzamide;ethane

C26H27ClN6O — CID 157043483

IUPAC4-[(3-chloro-2-methyl-4-pyridinyl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]-2-pyridinyl]benzamide;ethane
SMILESCC.Cc1cc(Nc2ccnc(NC(=O)c3ccc(Nc4ccnc(C)c4Cl)cc3)c2)ccn1
InChIInChI=1S/C24H21ClN6O.C2H6/c1-15-13-19(7-10-26-15)29-20-8-11-28-22(14-20)31-24(32)17-3-5-18(6-4-17)30-21-9-12-27-16(2)23(21)25;1-2/h3-14H,1-2H3,(H,27,30)(H2,26,28,29,31,32);1-2H3
InChIKeyRAMQSXCCLAQDKV-UHFFFAOYSA-N
MW475.00 g/mol
LogP6.91
Rot. Bonds6

About 4-[(3-chloro-2-methyl-4-pyridinyl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]-2-pyridinyl]benzamide;ethane

4-[(3-chloro-2-methyl-4-pyridinyl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]-2-pyridinyl]benzamide;ethane (PubChem CID 157043483) has the molecular formula C26H27ClN6O and a molecular weight of 475.00 g/mol. Its IUPAC name is 4-[(3-chloro-2-methyl-4-pyridinyl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]-2-pyridinyl]benzamide;ethane.

Molecular Properties

Compound Name4-[(3-chloro-2-methyl-4-pyridinyl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]-2-pyridinyl]benzamide;ethane
PubChem CID157043483
Molecular FormulaC26H27ClN6O
Molecular Weight475.00 g/mol
Exact Mass474.19
IUPAC Name4-[(3-chloro-2-methyl-4-pyridinyl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]-2-pyridinyl]benzamide;ethane
SMILESCC.Cc1cc(Nc2ccnc(NC(=O)c3ccc(Nc4ccnc(C)c4Cl)cc3)c2)ccn1
InChIInChI=1S/C24H21ClN6O.C2H6/c1-15-13-19(7-10-26-15)29-20-8-11-28-22(14-20)31-24(32)17-3-5-18(6-4-17)30-21-9-12-27-16(2)23(21)25;1-2/h3-14H,1-2H3,(H,27,30)(H2,26,28,29,31,32);1-2H3
InChIKeyRAMQSXCCLAQDKV-UHFFFAOYSA-N
XLogP6.91
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.00
LogP ≤ 56.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[(3-chloro-2-methyl-4-pyridinyl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]-2-pyridinyl]benzamide;ethane with MolForge

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Related Compounds

4-[(2-methyl-4-pyridinyl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]phenyl]benzamide
CID 157044269
4-[(3-chloro-2-methyl-4-pyridinyl)amino]-N-(3-pyridin-4-yloxyphenyl)benzamide
CID 157043679
4-[(2-methyl-4-pyridinyl)amino]-N-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]benzamide
CID 157044209
4-[(2-methyl-4-pyridinyl)amino]benzamide
CID 90134463
4-(methylamino)-N-(2-methyl-4-pyridinyl)benzamide
CID 79240980
3-[(6-cyanoquinolin-4-yl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]-2-pyridinyl]benzamide
CID 157042727
3-[(6-fluoroquinolin-4-yl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]phenyl]benzamide
CID 166833012
1-(4-chlorophenyl)-3-(2-methyl-4-pyridinyl)urea
CID 110755160
2-(methylamino)-N-(2-methyl-4-pyridinyl)pyridine-4-carboxamide
CID 79240155
3-bromo-4-chloro-N-(2-methyl-4-pyridinyl)benzamide
CID 110678414
3-[(2-methyl-4-pyridinyl)amino]-N-(4-phenoxy-2-pyridinyl)benzamide
CID 170002489
4-benzamido-N-(4-methyl-2-pyridinyl)benzamide
CID 17153203

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-2-methyl-4-pyridinyl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]-2-pyridinyl]benzamide;ethane?
The IUPAC name of 4-[(3-chloro-2-methyl-4-pyridinyl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]-2-pyridinyl]benzamide;ethane (CID 157043483) is 4-[(3-chloro-2-methyl-4-pyridinyl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]-2-pyridinyl]benzamide;ethane.
What is the SMILES notation for 4-[(3-chloro-2-methyl-4-pyridinyl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]-2-pyridinyl]benzamide;ethane?
The canonical SMILES for 4-[(3-chloro-2-methyl-4-pyridinyl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]-2-pyridinyl]benzamide;ethane is CC.Cc1cc(Nc2ccnc(NC(=O)c3ccc(Nc4ccnc(C)c4Cl)cc3)c2)ccn1.
What is the InChIKey of 4-[(3-chloro-2-methyl-4-pyridinyl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]-2-pyridinyl]benzamide;ethane?
The InChIKey is RAMQSXCCLAQDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN6O.C2H6/c1-15-13-19(7-10-26-15)29-20-8-11-28-22(14-20)31-24(32)17-3-5-18(6-4-17)30-21-9-12-27-16(2)23(21)25;1-2/h3-14H,1-2H3,(H,27,30)(H2,26,28,29,31,32);1-2H3.
What are the key properties of 4-[(3-chloro-2-methyl-4-pyridinyl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]-2-pyridinyl]benzamide;ethane?
4-[(3-chloro-2-methyl-4-pyridinyl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]-2-pyridinyl]benzamide;ethane has a molecular weight of 475.00 g/mol, XLogP of 6.91, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-2-methyl-4-pyridinyl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]-2-pyridinyl]benzamide;ethane is sourced from PubChem (CID 157043483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).