3-chloro-N-[3-methyl-4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]benzamide

C24H20ClN5O2 — CID 46929546

IUPAC3-chloro-N-[3-methyl-4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]benzamide
SMILESCNc1nccc(-c2cccnc2Oc2ccc(NC(=O)c3cccc(Cl)c3)cc2C)n1
InChIInChI=1S/C24H20ClN5O2/c1-15-13-18(29-22(31)16-5-3-6-17(25)14-16)8-9-21(15)32-23-19(7-4-11-27-23)20-10-12-28-24(26-2)30-20/h3-14H,1-2H3,(H,29,31)(H,26,28,30)
InChIKeyPZVIQPBSJBPATG-UHFFFAOYSA-N
MW445.91 g/mol
LogP5.59
Rot. Bonds6

About 3-chloro-N-[3-methyl-4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]benzamide

3-chloro-N-[3-methyl-4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]benzamide (PubChem CID 46929546) has the molecular formula C24H20ClN5O2 and a molecular weight of 445.91 g/mol. Its IUPAC name is 3-chloro-N-[3-methyl-4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[3-methyl-4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]benzamide
PubChem CID46929546
Molecular FormulaC24H20ClN5O2
Molecular Weight445.91 g/mol
Exact Mass445.13
IUPAC Name3-chloro-N-[3-methyl-4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]benzamide
SMILESCNc1nccc(-c2cccnc2Oc2ccc(NC(=O)c3cccc(Cl)c3)cc2C)n1
InChIInChI=1S/C24H20ClN5O2/c1-15-13-18(29-22(31)16-5-3-6-17(25)14-16)8-9-21(15)32-23-19(7-4-11-27-23)20-10-12-28-24(26-2)30-20/h3-14H,1-2H3,(H,29,31)(H,26,28,30)
InChIKeyPZVIQPBSJBPATG-UHFFFAOYSA-N
XLogP5.59
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.91
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-3-((3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yl)oxy)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 16108977
2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 53
CID 5327899
4-methyl-3-(3-(pyrimidin-4-yl)pyridin-2-yloxy)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 16108986
4-methyl-3-(3-(pyrimidin-4-yl)pyridin-2-yloxy)-N-(4-(trifluoromethyl)phenyl)benzamide
CID 16108987
N-(2-methoxy-5-(trifluoromethyl)phenyl)-4-methyl-3-(3-(pyrimidin-4-yl)pyridin-2-yloxy)benzamide
CID 16108988
4-methyl-N-(2-(piperidin-1-yl)-5-(trifluoromethyl)phenyl)-3-(3-(pyrimidin-4-yl)pyridin-2-yloxy)benzamide
CID 16108989
N-(5-cyclohexyl-2-methoxyphenyl)-4-methyl-3-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yloxy)benzamide
CID 16108991
4-methyl-3-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yloxy)-N-(2-(piperidin-1-yl)-5-(trifluoromethyl)phenyl)benzamide
CID 16108995
2-(Methylamino)pyrimidine 58
CID 16108997
2-(Methylamino)pyrimidine 52
CID 23646931
2-(Methylamino)pyrimidine 54
CID 23646933
2-(Methylamino)pyrimidine 56
CID 23646934

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-methyl-4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]benzamide?
The IUPAC name of 3-chloro-N-[3-methyl-4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]benzamide (CID 46929546) is 3-chloro-N-[3-methyl-4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]benzamide.
What is the SMILES notation for 3-chloro-N-[3-methyl-4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]benzamide?
The canonical SMILES for 3-chloro-N-[3-methyl-4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]benzamide is CNc1nccc(-c2cccnc2Oc2ccc(NC(=O)c3cccc(Cl)c3)cc2C)n1.
What is the InChIKey of 3-chloro-N-[3-methyl-4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]benzamide?
The InChIKey is PZVIQPBSJBPATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN5O2/c1-15-13-18(29-22(31)16-5-3-6-17(25)14-16)8-9-21(15)32-23-19(7-4-11-27-23)20-10-12-28-24(26-2)30-20/h3-14H,1-2H3,(H,29,31)(H,26,28,30).
What are the key properties of 3-chloro-N-[3-methyl-4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]benzamide?
3-chloro-N-[3-methyl-4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]benzamide has a molecular weight of 445.91 g/mol, XLogP of 5.59, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-methyl-4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]benzamide is sourced from PubChem (CID 46929546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).