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

C23H23N3O3 — CID 109220466

IUPACmethyl 4-[[2-[(4-propan-2-ylphenyl)carbamoyl]-4-pyridinyl]amino]benzoate
SMILESCOC(=O)c1ccc(Nc2ccnc(C(=O)Nc3ccc(C(C)C)cc3)c2)cc1
InChIInChI=1S/C23H23N3O3/c1-15(2)16-4-8-19(9-5-16)26-22(27)21-14-20(12-13-24-21)25-18-10-6-17(7-11-18)23(28)29-3/h4-15H,1-3H3,(H,24,25)(H,26,27)
InChIKeyCUSBNIFLJJKWEY-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.99
Rot. Bonds6

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

methyl 4-[[2-[(4-propan-2-ylphenyl)carbamoyl]-4-pyridinyl]amino]benzoate (PubChem CID 109220466) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is methyl 4-[[2-[(4-propan-2-ylphenyl)carbamoyl]-4-pyridinyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-[(4-propan-2-ylphenyl)carbamoyl]-4-pyridinyl]amino]benzoate
PubChem CID109220466
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Namemethyl 4-[[2-[(4-propan-2-ylphenyl)carbamoyl]-4-pyridinyl]amino]benzoate
SMILESCOC(=O)c1ccc(Nc2ccnc(C(=O)Nc3ccc(C(C)C)cc3)c2)cc1
InChIInChI=1S/C23H23N3O3/c1-15(2)16-4-8-19(9-5-16)26-22(27)21-14-20(12-13-24-21)25-18-10-6-17(7-11-18)23(28)29-3/h4-15H,1-3H3,(H,24,25)(H,26,27)
InChIKeyCUSBNIFLJJKWEY-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-[[2-[(4-propan-2-ylphenyl)carbamoyl]-4-pyridinyl]amino]benzoate with MolForge

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Related Compounds

N-phenyl-4-(4-propan-2-ylanilino)pyridine-2-carboxamide
CID 109218754
4-(4-fluoroanilino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109220451
methyl 4-[[2-[(3-chloro-4-methylphenyl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109221255
methyl 4-[[4-(2,4,6-trimethylanilino)pyridine-2-carbonyl]amino]benzoate
CID 109220533
4-hydrazinyl-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 62238190
4-(4-acetylanilino)-N-(4-acetylphenyl)pyridine-2-carboxamide
CID 109222150
methyl 3-[[4-(4-acetylanilino)pyridine-2-carbonyl]amino]benzoate
CID 109222174
methyl 4-[[2-[(3-cyanophenyl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109222315
N-(4-methoxyphenyl)-4-(4-propan-2-yloxyanilino)pyridine-2-carboxamide
CID 109221648
4-N-(4-chlorophenyl)-2-N-(4-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109092487
4-bromo-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 86695853
N-butan-2-yl-4-(4-propan-2-ylanilino)pyridine-2-carboxamide
CID 109203336

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-[(4-propan-2-ylphenyl)carbamoyl]-4-pyridinyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-[(4-propan-2-ylphenyl)carbamoyl]-4-pyridinyl]amino]benzoate (CID 109220466) is methyl 4-[[2-[(4-propan-2-ylphenyl)carbamoyl]-4-pyridinyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-[(4-propan-2-ylphenyl)carbamoyl]-4-pyridinyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-[(4-propan-2-ylphenyl)carbamoyl]-4-pyridinyl]amino]benzoate is COC(=O)c1ccc(Nc2ccnc(C(=O)Nc3ccc(C(C)C)cc3)c2)cc1.
What is the InChIKey of methyl 4-[[2-[(4-propan-2-ylphenyl)carbamoyl]-4-pyridinyl]amino]benzoate?
The InChIKey is CUSBNIFLJJKWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-15(2)16-4-8-19(9-5-16)26-22(27)21-14-20(12-13-24-21)25-18-10-6-17(7-11-18)23(28)29-3/h4-15H,1-3H3,(H,24,25)(H,26,27).
What are the key properties of methyl 4-[[2-[(4-propan-2-ylphenyl)carbamoyl]-4-pyridinyl]amino]benzoate?
methyl 4-[[2-[(4-propan-2-ylphenyl)carbamoyl]-4-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-[[2-[(4-propan-2-ylphenyl)carbamoyl]-4-pyridinyl]amino]benzoate is sourced from PubChem (CID 109220466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).