methyl 2-[[2-[ethyl(phenyl)carbamoyl]-4-pyridinyl]amino]benzoate

C22H21N3O3 — CID 109220287

IUPACmethyl 2-[[2-[ethyl(phenyl)carbamoyl]-4-pyridinyl]amino]benzoate
SMILESCCN(C(=O)c1cc(Nc2ccccc2C(=O)OC)ccn1)c1ccccc1
InChIInChI=1S/C22H21N3O3/c1-3-25(17-9-5-4-6-10-17)21(26)20-15-16(13-14-23-20)24-19-12-8-7-11-18(19)22(27)28-2/h4-15H,3H2,1-2H3,(H,23,24)
InChIKeyZPVQZWPRRSCYIE-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.28
Rot. Bonds6

About methyl 2-[[2-[ethyl(phenyl)carbamoyl]-4-pyridinyl]amino]benzoate

methyl 2-[[2-[ethyl(phenyl)carbamoyl]-4-pyridinyl]amino]benzoate (PubChem CID 109220287) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is methyl 2-[[2-[ethyl(phenyl)carbamoyl]-4-pyridinyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-[ethyl(phenyl)carbamoyl]-4-pyridinyl]amino]benzoate
PubChem CID109220287
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Namemethyl 2-[[2-[ethyl(phenyl)carbamoyl]-4-pyridinyl]amino]benzoate
SMILESCCN(C(=O)c1cc(Nc2ccccc2C(=O)OC)ccn1)c1ccccc1
InChIInChI=1S/C22H21N3O3/c1-3-25(17-9-5-4-6-10-17)21(26)20-15-16(13-14-23-20)24-19-12-8-7-11-18(19)22(27)28-2/h4-15H,3H2,1-2H3,(H,23,24)
InChIKeyZPVQZWPRRSCYIE-UHFFFAOYSA-N
XLogP4.28
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[2-[ethyl(phenyl)carbamoyl]-4-pyridinyl]amino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-anilino-N-ethyl-N-phenylpyridine-2-carboxamide
CID 109218846
4-(2,4-dimethoxyanilino)-N-ethyl-N-phenylpyridine-2-carboxamide
CID 109220278
4-(3,4-difluoroanilino)-N-ethyl-N-phenylpyridine-2-carboxamide
CID 109220308
methyl 2-[[2-(3-phenylpropylcarbamoyl)-4-pyridinyl]amino]benzoate
CID 109216657
N-ethyl-N-phenyl-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109213681
methyl 2-[[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzoate
CID 109208518
methyl 2-[[2-[(4-chlorophenyl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109221037
methyl 2-[[2-[(2-ethyl-6-methylphenyl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109220370
2-N-ethyl-4-N-(2-methoxyphenyl)-2-N-phenylpyridine-2,4-dicarboxamide
CID 109092376
N-ethyl-4-(methylamino)-N-pyridin-4-ylpyridine-2-carboxamide
CID 106937446
methyl 2-[[2-[(3,4-difluorophenyl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109222267
N,N-diethyl-4-(2-methylanilino)pyridine-2-carboxamide
CID 109216389

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[ethyl(phenyl)carbamoyl]-4-pyridinyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-[ethyl(phenyl)carbamoyl]-4-pyridinyl]amino]benzoate (CID 109220287) is methyl 2-[[2-[ethyl(phenyl)carbamoyl]-4-pyridinyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-[ethyl(phenyl)carbamoyl]-4-pyridinyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-[ethyl(phenyl)carbamoyl]-4-pyridinyl]amino]benzoate is CCN(C(=O)c1cc(Nc2ccccc2C(=O)OC)ccn1)c1ccccc1.
What is the InChIKey of methyl 2-[[2-[ethyl(phenyl)carbamoyl]-4-pyridinyl]amino]benzoate?
The InChIKey is ZPVQZWPRRSCYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-3-25(17-9-5-4-6-10-17)21(26)20-15-16(13-14-23-20)24-19-12-8-7-11-18(19)22(27)28-2/h4-15H,3H2,1-2H3,(H,23,24).
What are the key properties of methyl 2-[[2-[ethyl(phenyl)carbamoyl]-4-pyridinyl]amino]benzoate?
methyl 2-[[2-[ethyl(phenyl)carbamoyl]-4-pyridinyl]amino]benzoate has a molecular weight of 375.43 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[ethyl(phenyl)carbamoyl]-4-pyridinyl]amino]benzoate is sourced from PubChem (CID 109220287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).