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

C23H23N3O3 — CID 109212562

IUPACmethyl 4-[[2-[benzyl(ethyl)carbamoyl]-4-pyridinyl]amino]benzoate
SMILESCCN(Cc1ccccc1)C(=O)c1cc(Nc2ccc(C(=O)OC)cc2)ccn1
InChIInChI=1S/C23H23N3O3/c1-3-26(16-17-7-5-4-6-8-17)22(27)21-15-20(13-14-24-21)25-19-11-9-18(10-12-19)23(28)29-2/h4-15H,3,16H2,1-2H3,(H,24,25)
InChIKeySIJVUPGRNOKLEU-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.27
Rot. Bonds7

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

methyl 4-[[2-[benzyl(ethyl)carbamoyl]-4-pyridinyl]amino]benzoate (PubChem CID 109212562) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is methyl 4-[[2-[benzyl(ethyl)carbamoyl]-4-pyridinyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-[benzyl(ethyl)carbamoyl]-4-pyridinyl]amino]benzoate
PubChem CID109212562
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Namemethyl 4-[[2-[benzyl(ethyl)carbamoyl]-4-pyridinyl]amino]benzoate
SMILESCCN(Cc1ccccc1)C(=O)c1cc(Nc2ccc(C(=O)OC)cc2)ccn1
InChIInChI=1S/C23H23N3O3/c1-3-26(16-17-7-5-4-6-8-17)22(27)21-15-20(13-14-24-21)25-19-11-9-18(10-12-19)23(28)29-2/h4-15H,3,16H2,1-2H3,(H,24,25)
InChIKeySIJVUPGRNOKLEU-UHFFFAOYSA-N
XLogP4.27
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[2-[benzyl(ethyl)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

N-benzyl-4-[4-(dimethylamino)anilino]-N-ethylpyridine-2-carboxamide
CID 109212563
N-benzyl-N-ethyl-4-(2-methylanilino)pyridine-2-carboxamide
CID 109212519
N-benzyl-N-ethyl-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109212553
methyl 3-[[5-[benzyl(ethyl)carbamoyl]pyrazin-2-yl]amino]benzoate
CID 109282808
N-benzyl-N-ethyl-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109212489
4-[(2-methoxycarbonyl-4-pyridinyl)amino]benzoic acid
CID 66288598
N-benzyl-5-(4-ethoxyanilino)-N-ethylpyridine-2-carboxamide
CID 109190758
N-ethyl-4-hydrazinyl-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 62247237
4-anilino-N-ethyl-N-phenylpyridine-2-carboxamide
CID 109218846
N-benzyl-6-(4-chloroanilino)-N-ethylpyrimidine-4-carboxamide
CID 109349520
2-N-benzyl-2-N-ethyl-4-N-pentylpyridine-2,4-dicarboxamide
CID 109087067
N-benzyl-6-(3,4-dimethylanilino)-N-ethylpyrimidine-4-carboxamide
CID 109349509

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-[benzyl(ethyl)carbamoyl]-4-pyridinyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-[benzyl(ethyl)carbamoyl]-4-pyridinyl]amino]benzoate (CID 109212562) is methyl 4-[[2-[benzyl(ethyl)carbamoyl]-4-pyridinyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-[benzyl(ethyl)carbamoyl]-4-pyridinyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-[benzyl(ethyl)carbamoyl]-4-pyridinyl]amino]benzoate is CCN(Cc1ccccc1)C(=O)c1cc(Nc2ccc(C(=O)OC)cc2)ccn1.
What is the InChIKey of methyl 4-[[2-[benzyl(ethyl)carbamoyl]-4-pyridinyl]amino]benzoate?
The InChIKey is SIJVUPGRNOKLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-3-26(16-17-7-5-4-6-8-17)22(27)21-15-20(13-14-24-21)25-19-11-9-18(10-12-19)23(28)29-2/h4-15H,3,16H2,1-2H3,(H,24,25).
What are the key properties of methyl 4-[[2-[benzyl(ethyl)carbamoyl]-4-pyridinyl]amino]benzoate?
methyl 4-[[2-[benzyl(ethyl)carbamoyl]-4-pyridinyl]amino]benzoate has a molecular weight of 389.46 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-[benzyl(ethyl)carbamoyl]-4-pyridinyl]amino]benzoate is sourced from PubChem (CID 109212562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).