methyl 4-[[4-[(2-propan-2-ylphenyl)carbamoyl]-2-pyridinyl]amino]benzoate

C23H23N3O3 — CID 109177046

IUPACmethyl 4-[[4-[(2-propan-2-ylphenyl)carbamoyl]-2-pyridinyl]amino]benzoate
SMILESCOC(=O)c1ccc(Nc2cc(C(=O)Nc3ccccc3C(C)C)ccn2)cc1
InChIInChI=1S/C23H23N3O3/c1-15(2)19-6-4-5-7-20(19)26-22(27)17-12-13-24-21(14-17)25-18-10-8-16(9-11-18)23(28)29-3/h4-15H,1-3H3,(H,24,25)(H,26,27)
InChIKeyYVUIRIVIMAZMJM-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.99
Rot. Bonds6

About methyl 4-[[4-[(2-propan-2-ylphenyl)carbamoyl]-2-pyridinyl]amino]benzoate

methyl 4-[[4-[(2-propan-2-ylphenyl)carbamoyl]-2-pyridinyl]amino]benzoate (PubChem CID 109177046) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is methyl 4-[[4-[(2-propan-2-ylphenyl)carbamoyl]-2-pyridinyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[4-[(2-propan-2-ylphenyl)carbamoyl]-2-pyridinyl]amino]benzoate
PubChem CID109177046
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Namemethyl 4-[[4-[(2-propan-2-ylphenyl)carbamoyl]-2-pyridinyl]amino]benzoate
SMILESCOC(=O)c1ccc(Nc2cc(C(=O)Nc3ccccc3C(C)C)ccn2)cc1
InChIInChI=1S/C23H23N3O3/c1-15(2)19-6-4-5-7-20(19)26-22(27)17-12-13-24-21(14-17)25-18-10-8-16(9-11-18)23(28)29-3/h4-15H,1-3H3,(H,24,25)(H,26,27)
InChIKeyYVUIRIVIMAZMJM-UHFFFAOYSA-N
XLogP4.99
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 ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[4-[(2-propan-2-ylphenyl)carbamoyl]-2-pyridinyl]amino]benzoate with MolForge

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Related Compounds

methyl 4-[[4-[(2-fluorophenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109177220
methyl 4-[[6-(2-propan-2-ylanilino)pyrimidin-4-yl]amino]benzoate
CID 112865516
N-(4-acetylphenyl)-2-(2-propan-2-ylanilino)pyridine-4-carboxamide
CID 109177061
methyl 4-[[6-[(2-propan-2-ylphenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109128195
methyl 2-[[2-(4-fluoroanilino)pyridine-4-carbonyl]amino]benzoate
CID 109177338
methyl 2-[[2-(4-ethylanilino)pyridine-4-carbonyl]amino]benzoate
CID 109176912
methyl 4-[[6-(2-propan-2-ylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109163018
methyl 4-[[4-(butan-2-ylcarbamoyl)-2-pyridinyl]amino]benzoate
CID 109165860
2-(4-acetylanilino)-N-(2-ethoxyphenyl)pyridine-4-carboxamide
CID 109178114
methyl 4-[[2-(2-propan-2-ylanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109316030
methyl 4-[[2-(2-methylpropylamino)pyridine-4-carbonyl]amino]benzoate
CID 109165776
methyl 4-[[2-(2,6-difluoroanilino)pyridine-4-carbonyl]amino]benzoate
CID 109178658

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-[(2-propan-2-ylphenyl)carbamoyl]-2-pyridinyl]amino]benzoate?
The IUPAC name of methyl 4-[[4-[(2-propan-2-ylphenyl)carbamoyl]-2-pyridinyl]amino]benzoate (CID 109177046) is methyl 4-[[4-[(2-propan-2-ylphenyl)carbamoyl]-2-pyridinyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[4-[(2-propan-2-ylphenyl)carbamoyl]-2-pyridinyl]amino]benzoate?
The canonical SMILES for methyl 4-[[4-[(2-propan-2-ylphenyl)carbamoyl]-2-pyridinyl]amino]benzoate is COC(=O)c1ccc(Nc2cc(C(=O)Nc3ccccc3C(C)C)ccn2)cc1.
What is the InChIKey of methyl 4-[[4-[(2-propan-2-ylphenyl)carbamoyl]-2-pyridinyl]amino]benzoate?
The InChIKey is YVUIRIVIMAZMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-15(2)19-6-4-5-7-20(19)26-22(27)17-12-13-24-21(14-17)25-18-10-8-16(9-11-18)23(28)29-3/h4-15H,1-3H3,(H,24,25)(H,26,27).
What are the key properties of methyl 4-[[4-[(2-propan-2-ylphenyl)carbamoyl]-2-pyridinyl]amino]benzoate?
methyl 4-[[4-[(2-propan-2-ylphenyl)carbamoyl]-2-pyridinyl]amino]benzoate has a molecular weight of 389.46 g/mol, XLogP of 4.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4-[(2-propan-2-ylphenyl)carbamoyl]-2-pyridinyl]amino]benzoate is sourced from PubChem (CID 109177046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).