4-[4-[[5-chloro-4-[(4-methyl-2-pyridinyl)amino]pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]-N-methylbenzamide

C26H25ClN6O2 — CID 25263743

IUPAC4-[4-[[5-chloro-4-[(4-methyl-2-pyridinyl)amino]pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2cc(OC)c(Nc3ncc(Cl)c(Nc4cc(C)ccn4)n3)cc2C)cc1
InChIInChI=1S/C26H25ClN6O2/c1-15-9-10-29-23(11-15)32-24-20(27)14-30-26(33-24)31-21-12-16(2)19(13-22(21)35-4)17-5-7-18(8-6-17)25(34)28-3/h5-14H,1-4H3,(H,28,34)(H2,29,30,31,32,33)
InChIKeyQUVYQWFBETZOMT-UHFFFAOYSA-N
MW488.98 g/mol
LogP5.66
Rot. Bonds7

About 4-[4-[[5-chloro-4-[(4-methyl-2-pyridinyl)amino]pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]-N-methylbenzamide

4-[4-[[5-chloro-4-[(4-methyl-2-pyridinyl)amino]pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]-N-methylbenzamide (PubChem CID 25263743) has the molecular formula C26H25ClN6O2 and a molecular weight of 488.98 g/mol. Its IUPAC name is 4-[4-[[5-chloro-4-[(4-methyl-2-pyridinyl)amino]pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[4-[[5-chloro-4-[(4-methyl-2-pyridinyl)amino]pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]-N-methylbenzamide
PubChem CID25263743
Molecular FormulaC26H25ClN6O2
Molecular Weight488.98 g/mol
Exact Mass488.17
IUPAC Name4-[4-[[5-chloro-4-[(4-methyl-2-pyridinyl)amino]pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2cc(OC)c(Nc3ncc(Cl)c(Nc4cc(C)ccn4)n3)cc2C)cc1
InChIInChI=1S/C26H25ClN6O2/c1-15-9-10-29-23(11-15)32-24-20(27)14-30-26(33-24)31-21-12-16(2)19(13-22(21)35-4)17-5-7-18(8-6-17)25(34)28-3/h5-14H,1-4H3,(H,28,34)(H2,29,30,31,32,33)
InChIKeyQUVYQWFBETZOMT-UHFFFAOYSA-N
XLogP5.66
TPSA101.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.98
LogP ≤ 55.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[4-[[5-chloro-4-[(4-methyl-2-pyridinyl)amino]pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]-N-methylbenzamide with MolForge

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Related Compounds

Cep-37440
CID 71721648
Narmafotinib
CID 60162119
HG-10-102-01
CID 58539301
4-Anilino-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carboxamide
CID 155883039
Pyridinyl pyrimidine 40
CID 11655925
N-(5-cyclohexyl-2-methoxyphenyl)-4-methyl-3-(3-(4-(methylamino)-1,3,5-triazin-2-yl)pyridin-2-yloxy)benzamide
CID 16108981
N-(2-methoxy-5-(trifluoromethyl)phenyl)-4-methyl-3-(3-(pyrimidin-4-yl)pyridin-2-yloxy)benzamide
CID 16108988
N-(5-cyclohexyl-2-methoxyphenyl)-4-methyl-3-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yloxy)benzamide
CID 16108991
N-(5-cyclohexyl-2-methoxyphenyl)-4-methyl-3-(3-(2-(methylamino)pyridin-4-yl)pyridin-2-yloxy)benzamide
CID 16108992
Cep-37440 R-isomer
CID 91885506
US11180482, Example I-2
CID 134564617
WO2022098809, Example 4-1
CID 163291099

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[5-chloro-4-[(4-methyl-2-pyridinyl)amino]pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]-N-methylbenzamide?
The IUPAC name of 4-[4-[[5-chloro-4-[(4-methyl-2-pyridinyl)amino]pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]-N-methylbenzamide (CID 25263743) is 4-[4-[[5-chloro-4-[(4-methyl-2-pyridinyl)amino]pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]-N-methylbenzamide.
What is the SMILES notation for 4-[4-[[5-chloro-4-[(4-methyl-2-pyridinyl)amino]pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]-N-methylbenzamide?
The canonical SMILES for 4-[4-[[5-chloro-4-[(4-methyl-2-pyridinyl)amino]pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]-N-methylbenzamide is CNC(=O)c1ccc(-c2cc(OC)c(Nc3ncc(Cl)c(Nc4cc(C)ccn4)n3)cc2C)cc1.
What is the InChIKey of 4-[4-[[5-chloro-4-[(4-methyl-2-pyridinyl)amino]pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]-N-methylbenzamide?
The InChIKey is QUVYQWFBETZOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN6O2/c1-15-9-10-29-23(11-15)32-24-20(27)14-30-26(33-24)31-21-12-16(2)19(13-22(21)35-4)17-5-7-18(8-6-17)25(34)28-3/h5-14H,1-4H3,(H,28,34)(H2,29,30,31,32,33).
What are the key properties of 4-[4-[[5-chloro-4-[(4-methyl-2-pyridinyl)amino]pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]-N-methylbenzamide?
4-[4-[[5-chloro-4-[(4-methyl-2-pyridinyl)amino]pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]-N-methylbenzamide has a molecular weight of 488.98 g/mol, XLogP of 5.66, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[5-chloro-4-[(4-methyl-2-pyridinyl)amino]pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]-N-methylbenzamide is sourced from PubChem (CID 25263743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).