methyl 4-[[6-[(3,5-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate

C22H21N3O3 — CID 109198170

IUPACmethyl 4-[[6-[(3,5-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
SMILESCOC(=O)c1ccc(Nc2ccc(C(=O)Nc3cc(C)cc(C)c3)nc2)cc1
InChIInChI=1S/C22H21N3O3/c1-14-10-15(2)12-19(11-14)25-21(26)20-9-8-18(13-23-20)24-17-6-4-16(5-7-17)22(27)28-3/h4-13,24H,1-3H3,(H,25,26)
InChIKeyPWQOANRSYBXRTH-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.48
Rot. Bonds5

About methyl 4-[[6-[(3,5-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate

methyl 4-[[6-[(3,5-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate (PubChem CID 109198170) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is methyl 4-[[6-[(3,5-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[6-[(3,5-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
PubChem CID109198170
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Namemethyl 4-[[6-[(3,5-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
SMILESCOC(=O)c1ccc(Nc2ccc(C(=O)Nc3cc(C)cc(C)c3)nc2)cc1
InChIInChI=1S/C22H21N3O3/c1-14-10-15(2)12-19(11-14)25-21(26)20-9-8-18(13-23-20)24-17-6-4-16(5-7-17)22(27)28-3/h4-13,24H,1-3H3,(H,25,26)
InChIKeyPWQOANRSYBXRTH-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

Analyze methyl 4-[[6-[(3,5-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate with MolForge

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Related Compounds

N-(3,5-dimethylphenyl)-5-(4-methoxyanilino)pyridine-2-carboxamide
CID 109198157
methyl 4-[[6-[(4-fluorophenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109198978
methyl 4-[[5-(4-chloroanilino)pyridine-2-carbonyl]amino]benzoate
CID 109199301
methyl 4-[[6-[(3-chloro-4-methylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109199478
methyl 4-[[6-[(3-chlorophenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109199182
methyl 4-[[6-[(2-chlorophenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109199100
methyl 4-[[6-[(4-chloro-2-methylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109199430
5-(3,5-dimethylanilino)-N-phenylpyridine-2-carboxamide
CID 109196969
methyl 4-[[6-[(2,3-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109198302
methyl 4-[[6-(propylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109179188
methyl 3-[[5-(4-chloroanilino)pyridine-2-carbonyl]amino]benzoate
CID 109199300
N-(3,5-dimethylphenyl)-5-(2-methoxyethylamino)pyridine-2-carboxamide
CID 109184098

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[6-[(3,5-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate?
The IUPAC name of methyl 4-[[6-[(3,5-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate (CID 109198170) is methyl 4-[[6-[(3,5-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[6-[(3,5-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate?
The canonical SMILES for methyl 4-[[6-[(3,5-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate is COC(=O)c1ccc(Nc2ccc(C(=O)Nc3cc(C)cc(C)c3)nc2)cc1.
What is the InChIKey of methyl 4-[[6-[(3,5-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate?
The InChIKey is PWQOANRSYBXRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-14-10-15(2)12-19(11-14)25-21(26)20-9-8-18(13-23-20)24-17-6-4-16(5-7-17)22(27)28-3/h4-13,24H,1-3H3,(H,25,26).
What are the key properties of methyl 4-[[6-[(3,5-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate?
methyl 4-[[6-[(3,5-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 4-[[6-[(3,5-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate is sourced from PubChem (CID 109198170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).