methyl 4-[[5-(pentylamino)pyridine-2-carbonyl]amino]benzoate

C19H23N3O3 — CID 109195883

IUPACmethyl 4-[[5-(pentylamino)pyridine-2-carbonyl]amino]benzoate
SMILESCCCCCNc1ccc(C(=O)Nc2ccc(C(=O)OC)cc2)nc1
InChIInChI=1S/C19H23N3O3/c1-3-4-5-12-20-16-10-11-17(21-13-16)18(23)22-15-8-6-14(7-9-15)19(24)25-2/h6-11,13,20H,3-5,12H2,1-2H3,(H,22,23)
InChIKeyFSLKUNJULZVFLJ-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.72
Rot. Bonds8

About methyl 4-[[5-(pentylamino)pyridine-2-carbonyl]amino]benzoate

methyl 4-[[5-(pentylamino)pyridine-2-carbonyl]amino]benzoate (PubChem CID 109195883) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is methyl 4-[[5-(pentylamino)pyridine-2-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[5-(pentylamino)pyridine-2-carbonyl]amino]benzoate
PubChem CID109195883
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Namemethyl 4-[[5-(pentylamino)pyridine-2-carbonyl]amino]benzoate
SMILESCCCCCNc1ccc(C(=O)Nc2ccc(C(=O)OC)cc2)nc1
InChIInChI=1S/C19H23N3O3/c1-3-4-5-12-20-16-10-11-17(21-13-16)18(23)22-15-8-6-14(7-9-15)19(24)25-2/h6-11,13,20H,3-5,12H2,1-2H3,(H,22,23)
InChIKeyFSLKUNJULZVFLJ-UHFFFAOYSA-N
XLogP3.72
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-methylphenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195830
N-(4-tert-butylphenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195848
methyl 3-[[5-(butylamino)pyridine-2-carbonyl]amino]-4-chlorobenzoate
CID 109180960
methyl 4-[[5-(2-phenylethylamino)pyridine-2-carbonyl]amino]benzoate
CID 109191932
5-(butylamino)-N-(4-chlorophenyl)pyridine-2-carboxamide
CID 109180928
N-(3,5-dimethylphenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195837
methyl 4-[[5-(propylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109271104
methyl 4-[[6-[(4-fluorophenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109198978
N-(3-chloro-4-methylphenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195857
methyl 2-[[5-(butylamino)pyridine-2-carbonyl]amino]benzoate
CID 109180957
methyl 4-[[5-(dipropylamino)pyridine-2-carbonyl]amino]benzoate
CID 109196665
N-(3-chloro-4-fluorophenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195858

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[5-(pentylamino)pyridine-2-carbonyl]amino]benzoate?
The IUPAC name of methyl 4-[[5-(pentylamino)pyridine-2-carbonyl]amino]benzoate (CID 109195883) is methyl 4-[[5-(pentylamino)pyridine-2-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[5-(pentylamino)pyridine-2-carbonyl]amino]benzoate?
The canonical SMILES for methyl 4-[[5-(pentylamino)pyridine-2-carbonyl]amino]benzoate is CCCCCNc1ccc(C(=O)Nc2ccc(C(=O)OC)cc2)nc1.
What is the InChIKey of methyl 4-[[5-(pentylamino)pyridine-2-carbonyl]amino]benzoate?
The InChIKey is FSLKUNJULZVFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-3-4-5-12-20-16-10-11-17(21-13-16)18(23)22-15-8-6-14(7-9-15)19(24)25-2/h6-11,13,20H,3-5,12H2,1-2H3,(H,22,23).
What are the key properties of methyl 4-[[5-(pentylamino)pyridine-2-carbonyl]amino]benzoate?
methyl 4-[[5-(pentylamino)pyridine-2-carbonyl]amino]benzoate has a molecular weight of 341.41 g/mol, XLogP of 3.72, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[5-(pentylamino)pyridine-2-carbonyl]amino]benzoate is sourced from PubChem (CID 109195883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).