methyl 2-[[5-[(2,4-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate

C22H21N3O3 — CID 109242696

IUPACmethyl 2-[[5-[(2,4-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
SMILESCOC(=O)c1ccccc1Nc1cncc(C(=O)Nc2ccc(C)cc2C)c1
InChIInChI=1S/C22H21N3O3/c1-14-8-9-19(15(2)10-14)25-21(26)16-11-17(13-23-12-16)24-20-7-5-4-6-18(20)22(27)28-3/h4-13,24H,1-3H3,(H,25,26)
InChIKeyOEHQQOBYXFYPNT-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.48
Rot. Bonds5

About methyl 2-[[5-[(2,4-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate

methyl 2-[[5-[(2,4-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate (PubChem CID 109242696) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is methyl 2-[[5-[(2,4-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[5-[(2,4-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
PubChem CID109242696
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Namemethyl 2-[[5-[(2,4-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
SMILESCOC(=O)c1ccccc1Nc1cncc(C(=O)Nc2ccc(C)cc2C)c1
InChIInChI=1S/C22H21N3O3/c1-14-8-9-19(15(2)10-14)25-21(26)16-11-17(13-23-12-16)24-20-7-5-4-6-18(20)22(27)28-3/h4-13,24H,1-3H3,(H,25,26)
InChIKeyOEHQQOBYXFYPNT-UHFFFAOYSA-N
XLogP4.48
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[[5-[(2,4-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109242711
methyl 2-[[5-(3-methylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109241968
5-(2-cyanoanilino)-N-(2,4-dimethylphenyl)pyridine-3-carboxamide
CID 109242712
methyl 2-[[5-(3-chloro-4-methylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109244895
5-(2,4-difluoroanilino)-N-(2,4-dimethylphenyl)pyridine-3-carboxamide
CID 109242709
5-(2,4-dimethylanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109242737
N-(2,4-dimethylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide
CID 109242670
N-(2,4-dimethylphenyl)-5-(3-fluoroanilino)pyridine-3-carboxamide
CID 109242702
methyl 2-[[5-(pentylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109240079
methyl 2-[[5-[2-(dimethylamino)ethylcarbamoyl]-3-pyridinyl]amino]benzoate
CID 109229218
5-(2,3-dimethylanilino)-N-(2-methylphenyl)pyridine-3-carboxamide
CID 109241651
5-(tert-butylamino)-N-(2,4-dimethylphenyl)pyridine-3-carboxamide
CID 109239395

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-[(2,4-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate?
The IUPAC name of methyl 2-[[5-[(2,4-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate (CID 109242696) is methyl 2-[[5-[(2,4-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[5-[(2,4-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate?
The canonical SMILES for methyl 2-[[5-[(2,4-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate is COC(=O)c1ccccc1Nc1cncc(C(=O)Nc2ccc(C)cc2C)c1.
What is the InChIKey of methyl 2-[[5-[(2,4-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate?
The InChIKey is OEHQQOBYXFYPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-14-8-9-19(15(2)10-14)25-21(26)16-11-17(13-23-12-16)24-20-7-5-4-6-18(20)22(27)28-3/h4-13,24H,1-3H3,(H,25,26).
What are the key properties of methyl 2-[[5-[(2,4-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate?
methyl 2-[[5-[(2,4-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate has a molecular weight of 375.43 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-[(2,4-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate is sourced from PubChem (CID 109242696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).