methyl 2-[[4-[(2-methylphenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate

C22H19N3O4 — CID 109091033

IUPACmethyl 2-[[4-[(2-methylphenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cc(C(=O)Nc2ccccc2C)ccn1
InChIInChI=1S/C22H19N3O4/c1-14-7-3-5-9-17(14)24-20(26)15-11-12-23-19(13-15)21(27)25-18-10-6-4-8-16(18)22(28)29-2/h3-13H,1-2H3,(H,24,26)(H,25,27)
InChIKeyYJDVQUATFRFAOR-UHFFFAOYSA-N
MW389.41 g/mol
LogP3.68
Rot. Bonds5

About methyl 2-[[4-[(2-methylphenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate

methyl 2-[[4-[(2-methylphenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate (PubChem CID 109091033) has the molecular formula C22H19N3O4 and a molecular weight of 389.41 g/mol. Its IUPAC name is methyl 2-[[4-[(2-methylphenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[4-[(2-methylphenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate
PubChem CID109091033
Molecular FormulaC22H19N3O4
Molecular Weight389.41 g/mol
Exact Mass389.14
IUPAC Namemethyl 2-[[4-[(2-methylphenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cc(C(=O)Nc2ccccc2C)ccn1
InChIInChI=1S/C22H19N3O4/c1-14-7-3-5-9-17(14)24-20(26)15-11-12-23-19(13-15)21(27)25-18-10-6-4-8-16(18)22(28)29-2/h3-13H,1-2H3,(H,24,26)(H,25,27)
InChIKeyYJDVQUATFRFAOR-UHFFFAOYSA-N
XLogP3.68
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[4-[(3-fluorophenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate
CID 109093237
methyl 2-[[2-(cycloheptylcarbamoyl)pyridine-4-carbonyl]amino]benzoate
CID 109089488
4-N-(2-methylphenyl)-2-N-(2,4,6-trimethylphenyl)pyridine-2,4-dicarboxamide
CID 109090998
methyl 2-[[2-(2,6-dimethylanilino)pyridine-4-carbonyl]amino]benzoate
CID 109176780
2-N-(3-methoxyphenyl)-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091016
methyl 2-[[2-(pentylcarbamoyl)pyridine-4-carbonyl]amino]benzoate
CID 109089904
methyl 2-[[4-(pentylcarbamoyl)pyridine-2-carbonyl]amino]benzoate
CID 109089807
2-N-(2-cyanophenyl)-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091043
methyl 2-[[2-(piperidine-1-carbonyl)pyridine-4-carbonyl]amino]benzoate
CID 109081318
4-N-(2-methylphenyl)-2-N-[2-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109091026
2-N-(2,3-dimethylphenyl)-4-N-(2-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109092159
methyl 2-[[2-[(5-chloro-2-methylphenyl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109221157

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-[(2-methylphenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate?
The IUPAC name of methyl 2-[[4-[(2-methylphenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate (CID 109091033) is methyl 2-[[4-[(2-methylphenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[4-[(2-methylphenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate?
The canonical SMILES for methyl 2-[[4-[(2-methylphenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)c1cc(C(=O)Nc2ccccc2C)ccn1.
What is the InChIKey of methyl 2-[[4-[(2-methylphenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate?
The InChIKey is YJDVQUATFRFAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4/c1-14-7-3-5-9-17(14)24-20(26)15-11-12-23-19(13-15)21(27)25-18-10-6-4-8-16(18)22(28)29-2/h3-13H,1-2H3,(H,24,26)(H,25,27).
What are the key properties of methyl 2-[[4-[(2-methylphenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate?
methyl 2-[[4-[(2-methylphenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate has a molecular weight of 389.41 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-[(2-methylphenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate is sourced from PubChem (CID 109091033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).