methyl 4-[[4-[ethyl-(3-methylphenyl)carbamoyl]-2-pyridinyl]amino]benzoate

C23H23N3O3 — CID 109178670

IUPACmethyl 4-[[4-[ethyl-(3-methylphenyl)carbamoyl]-2-pyridinyl]amino]benzoate
SMILESCCN(C(=O)c1ccnc(Nc2ccc(C(=O)OC)cc2)c1)c1cccc(C)c1
InChIInChI=1S/C23H23N3O3/c1-4-26(20-7-5-6-16(2)14-20)22(27)18-12-13-24-21(15-18)25-19-10-8-17(9-11-19)23(28)29-3/h5-15H,4H2,1-3H3,(H,24,25)
InChIKeyFQCYQFOATCCLNX-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.59
Rot. Bonds6

About methyl 4-[[4-[ethyl-(3-methylphenyl)carbamoyl]-2-pyridinyl]amino]benzoate

methyl 4-[[4-[ethyl-(3-methylphenyl)carbamoyl]-2-pyridinyl]amino]benzoate (PubChem CID 109178670) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is methyl 4-[[4-[ethyl-(3-methylphenyl)carbamoyl]-2-pyridinyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[4-[ethyl-(3-methylphenyl)carbamoyl]-2-pyridinyl]amino]benzoate
PubChem CID109178670
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Namemethyl 4-[[4-[ethyl-(3-methylphenyl)carbamoyl]-2-pyridinyl]amino]benzoate
SMILESCCN(C(=O)c1ccnc(Nc2ccc(C(=O)OC)cc2)c1)c1cccc(C)c1
InChIInChI=1S/C23H23N3O3/c1-4-26(20-7-5-6-16(2)14-20)22(27)18-12-13-24-21(15-18)25-19-10-8-17(9-11-19)23(28)29-3/h5-15H,4H2,1-3H3,(H,24,25)
InChIKeyFQCYQFOATCCLNX-UHFFFAOYSA-N
XLogP4.59
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-acetamidoanilino)-N-ethyl-N-(3-methylphenyl)pyridine-4-carboxamide
CID 109178566
6-[4-(dimethylamino)anilino]-N-ethyl-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109164676
N-ethyl-N-(3-methylphenyl)-2-(quinolin-8-ylamino)pyridine-4-carboxamide
CID 109178870
2-(4-ethoxyanilino)-N-ethyl-N-phenylpyridine-4-carboxamide
CID 109176932
N-ethyl-2-[(2-fluorophenyl)methylamino]-N-(3-methylphenyl)pyridine-4-carboxamide
CID 109170542
N-ethyl-2-[2-(4-fluorophenyl)ethylamino]-N-(3-methylphenyl)pyridine-4-carboxamide
CID 109172719
methyl 4-[acetyl-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]amino]benzoate
CID 113176496
N,4-diethyl-N-(3-methylphenyl)benzamide
CID 533234
N-ethyl-6-methyl-N-(3-methylphenyl)pyridine-3-carboxamide
CID 110865026
2-[4-(dimethylamino)anilino]-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide
CID 109169807
methyl 4-[[4-(butan-2-ylcarbamoyl)-2-pyridinyl]amino]benzoate
CID 109165860
1-N,1-N,4-N-triethyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109048470

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-[ethyl-(3-methylphenyl)carbamoyl]-2-pyridinyl]amino]benzoate?
The IUPAC name of methyl 4-[[4-[ethyl-(3-methylphenyl)carbamoyl]-2-pyridinyl]amino]benzoate (CID 109178670) is methyl 4-[[4-[ethyl-(3-methylphenyl)carbamoyl]-2-pyridinyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[4-[ethyl-(3-methylphenyl)carbamoyl]-2-pyridinyl]amino]benzoate?
The canonical SMILES for methyl 4-[[4-[ethyl-(3-methylphenyl)carbamoyl]-2-pyridinyl]amino]benzoate is CCN(C(=O)c1ccnc(Nc2ccc(C(=O)OC)cc2)c1)c1cccc(C)c1.
What is the InChIKey of methyl 4-[[4-[ethyl-(3-methylphenyl)carbamoyl]-2-pyridinyl]amino]benzoate?
The InChIKey is FQCYQFOATCCLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-4-26(20-7-5-6-16(2)14-20)22(27)18-12-13-24-21(15-18)25-19-10-8-17(9-11-19)23(28)29-3/h5-15H,4H2,1-3H3,(H,24,25).
What are the key properties of methyl 4-[[4-[ethyl-(3-methylphenyl)carbamoyl]-2-pyridinyl]amino]benzoate?
methyl 4-[[4-[ethyl-(3-methylphenyl)carbamoyl]-2-pyridinyl]amino]benzoate has a molecular weight of 389.46 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4-[ethyl-(3-methylphenyl)carbamoyl]-2-pyridinyl]amino]benzoate is sourced from PubChem (CID 109178670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).