methyl 2-[[2-[(2-ethyl-6-methylphenyl)carbamoyl]-4-pyridinyl]amino]benzoate

C23H23N3O3 — CID 109220370

IUPACmethyl 2-[[2-[(2-ethyl-6-methylphenyl)carbamoyl]-4-pyridinyl]amino]benzoate
SMILESCCc1cccc(C)c1NC(=O)c1cc(Nc2ccccc2C(=O)OC)ccn1
InChIInChI=1S/C23H23N3O3/c1-4-16-9-7-8-15(2)21(16)26-22(27)20-14-17(12-13-24-20)25-19-11-6-5-10-18(19)23(28)29-3/h5-14H,4H2,1-3H3,(H,24,25)(H,26,27)
InChIKeyYPKZDTGKMBCMPC-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.73
Rot. Bonds6

About methyl 2-[[2-[(2-ethyl-6-methylphenyl)carbamoyl]-4-pyridinyl]amino]benzoate

methyl 2-[[2-[(2-ethyl-6-methylphenyl)carbamoyl]-4-pyridinyl]amino]benzoate (PubChem CID 109220370) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is methyl 2-[[2-[(2-ethyl-6-methylphenyl)carbamoyl]-4-pyridinyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-[(2-ethyl-6-methylphenyl)carbamoyl]-4-pyridinyl]amino]benzoate
PubChem CID109220370
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Namemethyl 2-[[2-[(2-ethyl-6-methylphenyl)carbamoyl]-4-pyridinyl]amino]benzoate
SMILESCCc1cccc(C)c1NC(=O)c1cc(Nc2ccccc2C(=O)OC)ccn1
InChIInChI=1S/C23H23N3O3/c1-4-16-9-7-8-15(2)21(16)26-22(27)20-14-17(12-13-24-20)25-19-11-6-5-10-18(19)23(28)29-3/h5-14H,4H2,1-3H3,(H,24,25)(H,26,27)
InChIKeyYPKZDTGKMBCMPC-UHFFFAOYSA-N
XLogP4.73
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[2-[(2-ethyl-6-methylphenyl)carbamoyl]-4-pyridinyl]amino]benzoate with MolForge

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Related Compounds

N-(2-ethyl-6-methylphenyl)-4-(3-methoxyanilino)pyridine-2-carboxamide
CID 109220361
methyl 2-[[2-[(5-chloro-2-methylphenyl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109221157
methyl 2-[[2-[(4-chlorophenyl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109221037
methyl 2-[[2-[(3,4-difluorophenyl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109222267
ethyl 2-[[2-[(2-chlorophenyl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109220888
ethyl 2-[[2-[(2,5-dimethylphenyl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109219823
4-amino-N-(2-ethyl-6-methylphenyl)pyridine-2-carboxamide
CID 62153378
N-(3-acetylphenyl)-4-(2-ethyl-6-methylanilino)pyridine-2-carboxamide
CID 109220385
methyl 2-[[4-(4-fluoroanilino)pyridine-2-carbonyl]amino]benzoate
CID 109220818
4-(3,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide
CID 109220006
ethyl 2-[[2-[(2-cyanophenyl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109222691
N-(2,6-diethylphenyl)-4-(methylamino)pyridine-2-carboxamide
CID 62186111

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[(2-ethyl-6-methylphenyl)carbamoyl]-4-pyridinyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-[(2-ethyl-6-methylphenyl)carbamoyl]-4-pyridinyl]amino]benzoate (CID 109220370) is methyl 2-[[2-[(2-ethyl-6-methylphenyl)carbamoyl]-4-pyridinyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-[(2-ethyl-6-methylphenyl)carbamoyl]-4-pyridinyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-[(2-ethyl-6-methylphenyl)carbamoyl]-4-pyridinyl]amino]benzoate is CCc1cccc(C)c1NC(=O)c1cc(Nc2ccccc2C(=O)OC)ccn1.
What is the InChIKey of methyl 2-[[2-[(2-ethyl-6-methylphenyl)carbamoyl]-4-pyridinyl]amino]benzoate?
The InChIKey is YPKZDTGKMBCMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-4-16-9-7-8-15(2)21(16)26-22(27)20-14-17(12-13-24-20)25-19-11-6-5-10-18(19)23(28)29-3/h5-14H,4H2,1-3H3,(H,24,25)(H,26,27).
What are the key properties of methyl 2-[[2-[(2-ethyl-6-methylphenyl)carbamoyl]-4-pyridinyl]amino]benzoate?
methyl 2-[[2-[(2-ethyl-6-methylphenyl)carbamoyl]-4-pyridinyl]amino]benzoate has a molecular weight of 389.46 g/mol, XLogP of 4.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[(2-ethyl-6-methylphenyl)carbamoyl]-4-pyridinyl]amino]benzoate is sourced from PubChem (CID 109220370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).