5-chloro-2-methoxy-N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]benzamide

C24H26ClN5O2 — CID 50748451

IUPAC5-chloro-2-methoxy-N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1ccc(Nc2cc(N3CCCCC3)nc(C)n2)cc1
InChIInChI=1S/C24H26ClN5O2/c1-16-26-22(15-23(27-16)30-12-4-3-5-13-30)28-18-7-9-19(10-8-18)29-24(31)20-14-17(25)6-11-21(20)32-2/h6-11,14-15H,3-5,12-13H2,1-2H3,(H,29,31)(H,26,27,28)
InChIKeyXNUNBWRZXWDAJK-UHFFFAOYSA-N
MW451.96 g/mol
LogP5.43
Rot. Bonds6

About 5-chloro-2-methoxy-N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]benzamide

5-chloro-2-methoxy-N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]benzamide (PubChem CID 50748451) has the molecular formula C24H26ClN5O2 and a molecular weight of 451.96 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]benzamide
PubChem CID50748451
Molecular FormulaC24H26ClN5O2
Molecular Weight451.96 g/mol
Exact Mass451.18
IUPAC Name5-chloro-2-methoxy-N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1ccc(Nc2cc(N3CCCCC3)nc(C)n2)cc1
InChIInChI=1S/C24H26ClN5O2/c1-16-26-22(15-23(27-16)30-12-4-3-5-13-30)28-18-7-9-19(10-8-18)29-24(31)20-14-17(25)6-11-21(20)32-2/h6-11,14-15H,3-5,12-13H2,1-2H3,(H,29,31)(H,26,27,28)
InChIKeyXNUNBWRZXWDAJK-UHFFFAOYSA-N
XLogP5.43
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.96
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dimethoxy-N-[4-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]benzamide
CID 50748387
5-chloro-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-methoxybenzamide
CID 121073894
2-fluoro-N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]benzamide
CID 46267964
1-(4-chlorophenyl)-3-[4-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]urea
CID 50747982
N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 50748367
8-methoxy-N-[4-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-2-oxochromene-3-carboxamide
CID 122297017
(5-chloro-2-methoxyphenyl)-[4-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 50748492
N-[4-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 50748481
5-chloro-N-(3-chloro-4-piperidin-1-ylphenyl)-2-methoxybenzamide
CID 1007459
5-chloro-2-methoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 53164660
1-(2,5-dimethoxyphenyl)-3-[4-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]urea
CID 50748140
2,5-dichloro-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 121032327

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]benzamide (CID 50748451) is 5-chloro-2-methoxy-N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]benzamide is COc1ccc(Cl)cc1C(=O)Nc1ccc(Nc2cc(N3CCCCC3)nc(C)n2)cc1.
What is the InChIKey of 5-chloro-2-methoxy-N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]benzamide?
The InChIKey is XNUNBWRZXWDAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5O2/c1-16-26-22(15-23(27-16)30-12-4-3-5-13-30)28-18-7-9-19(10-8-18)29-24(31)20-14-17(25)6-11-21(20)32-2/h6-11,14-15H,3-5,12-13H2,1-2H3,(H,29,31)(H,26,27,28).
What are the key properties of 5-chloro-2-methoxy-N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]benzamide?
5-chloro-2-methoxy-N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]benzamide has a molecular weight of 451.96 g/mol, XLogP of 5.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]benzamide is sourced from PubChem (CID 50748451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).