methyl 4-[[6-[methyl(phenyl)carbamoyl]-3-pyridinyl]amino]benzoate

C21H19N3O3 — CID 109197609

IUPACmethyl 4-[[6-[methyl(phenyl)carbamoyl]-3-pyridinyl]amino]benzoate
SMILESCOC(=O)c1ccc(Nc2ccc(C(=O)N(C)c3ccccc3)nc2)cc1
InChIInChI=1S/C21H19N3O3/c1-24(18-6-4-3-5-7-18)20(25)19-13-12-17(14-22-19)23-16-10-8-15(9-11-16)21(26)27-2/h3-14,23H,1-2H3
InChIKeyJVQVMTJGHZZIKE-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.89
Rot. Bonds5

About methyl 4-[[6-[methyl(phenyl)carbamoyl]-3-pyridinyl]amino]benzoate

methyl 4-[[6-[methyl(phenyl)carbamoyl]-3-pyridinyl]amino]benzoate (PubChem CID 109197609) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is methyl 4-[[6-[methyl(phenyl)carbamoyl]-3-pyridinyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[6-[methyl(phenyl)carbamoyl]-3-pyridinyl]amino]benzoate
PubChem CID109197609
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Namemethyl 4-[[6-[methyl(phenyl)carbamoyl]-3-pyridinyl]amino]benzoate
SMILESCOC(=O)c1ccc(Nc2ccc(C(=O)N(C)c3ccccc3)nc2)cc1
InChIInChI=1S/C21H19N3O3/c1-24(18-6-4-3-5-7-18)20(25)19-13-12-17(14-22-19)23-16-10-8-15(9-11-16)21(26)27-2/h3-14,23H,1-2H3
InChIKeyJVQVMTJGHZZIKE-UHFFFAOYSA-N
XLogP3.89
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-acetylanilino)-N-methyl-N-phenylpyridine-2-carboxamide
CID 109197604
methyl 4-[[5-[methyl(phenyl)carbamoyl]pyrazin-2-yl]amino]benzoate
CID 109290259
5-(3,5-dimethylanilino)-N-methyl-N-phenylpyridine-2-carboxamide
CID 109197567
5-(3,5-dichloroanilino)-N-methyl-N-phenylpyridine-2-carboxamide
CID 109197632
5-(2-ethoxyanilino)-N-methyl-N-phenylpyridine-2-carboxamide
CID 109197592
methyl 4-[[6-[methyl(phenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate
CID 109100281
5-(2,5-dimethoxyanilino)-N-methyl-N-phenylpyridine-2-carboxamide
CID 109197597
N-methyl-N-phenyl-5-(2-propan-2-ylanilino)pyridine-2-carboxamide
CID 109197573
N-methyl-N-phenyl-5-(propylamino)pyridine-2-carboxamide
CID 109179331
5-(5-chloro-2-methoxyanilino)-N-methyl-N-phenylpyridine-2-carboxamide
CID 109197586
methyl 4-[[5-(N-methylanilino)pyridine-2-carbonyl]amino]benzoate
CID 109197694
methyl 4-[(6-benzamido-3-pyridinyl)amino]benzoate
CID 113035384

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[6-[methyl(phenyl)carbamoyl]-3-pyridinyl]amino]benzoate?
The IUPAC name of methyl 4-[[6-[methyl(phenyl)carbamoyl]-3-pyridinyl]amino]benzoate (CID 109197609) is methyl 4-[[6-[methyl(phenyl)carbamoyl]-3-pyridinyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[6-[methyl(phenyl)carbamoyl]-3-pyridinyl]amino]benzoate?
The canonical SMILES for methyl 4-[[6-[methyl(phenyl)carbamoyl]-3-pyridinyl]amino]benzoate is COC(=O)c1ccc(Nc2ccc(C(=O)N(C)c3ccccc3)nc2)cc1.
What is the InChIKey of methyl 4-[[6-[methyl(phenyl)carbamoyl]-3-pyridinyl]amino]benzoate?
The InChIKey is JVQVMTJGHZZIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-24(18-6-4-3-5-7-18)20(25)19-13-12-17(14-22-19)23-16-10-8-15(9-11-16)21(26)27-2/h3-14,23H,1-2H3.
What are the key properties of methyl 4-[[6-[methyl(phenyl)carbamoyl]-3-pyridinyl]amino]benzoate?
methyl 4-[[6-[methyl(phenyl)carbamoyl]-3-pyridinyl]amino]benzoate has a molecular weight of 361.40 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[6-[methyl(phenyl)carbamoyl]-3-pyridinyl]amino]benzoate is sourced from PubChem (CID 109197609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).