methyl 3-[[5-(pentylcarbamoyl)-3-pyridinyl]amino]benzoate

C19H23N3O3 — CID 109240080

IUPACmethyl 3-[[5-(pentylcarbamoyl)-3-pyridinyl]amino]benzoate
SMILESCCCCCNC(=O)c1cncc(Nc2cccc(C(=O)OC)c2)c1
InChIInChI=1S/C19H23N3O3/c1-3-4-5-9-21-18(23)15-11-17(13-20-12-15)22-16-8-6-7-14(10-16)19(24)25-2/h6-8,10-13,22H,3-5,9H2,1-2H3,(H,21,23)
InChIKeyZMMLSBKHIDXIRC-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.53
Rot. Bonds8

About methyl 3-[[5-(pentylcarbamoyl)-3-pyridinyl]amino]benzoate

methyl 3-[[5-(pentylcarbamoyl)-3-pyridinyl]amino]benzoate (PubChem CID 109240080) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is methyl 3-[[5-(pentylcarbamoyl)-3-pyridinyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[5-(pentylcarbamoyl)-3-pyridinyl]amino]benzoate
PubChem CID109240080
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Namemethyl 3-[[5-(pentylcarbamoyl)-3-pyridinyl]amino]benzoate
SMILESCCCCCNC(=O)c1cncc(Nc2cccc(C(=O)OC)c2)c1
InChIInChI=1S/C19H23N3O3/c1-3-4-5-9-21-18(23)15-11-17(13-20-12-15)22-16-8-6-7-14(10-16)19(24)25-2/h6-8,10-13,22H,3-5,9H2,1-2H3,(H,21,23)
InChIKeyZMMLSBKHIDXIRC-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
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

methyl 3-[[5-(3-methoxypropylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109228138
methyl 3-[[5-(butylcarbamoyl)pyridine-3-carbonyl]amino]benzoate
CID 109102052
methyl 2-[[5-(pentylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109240079
methyl 3-[[5-(pentylcarbamoyl)pyrazin-2-yl]amino]benzoate
CID 109288066
methyl 3-[[5-(dipropylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109240973
methyl 3-[[5-(3-acetylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109245797
N-butyl-5-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109224479
methyl 3-[[5-[(3-chlorophenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109244492
N-butyl-5-(3,4-dimethoxyanilino)pyridine-3-carboxamide
CID 109224477
methyl 3-[[5-[(3-methylphenyl)methylcarbamoyl]-3-pyridinyl]amino]benzoate
CID 109232319
methyl 3-[[5-[(3,4-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109242927
N-(3-methoxypropyl)-5-(pentylamino)pyridine-3-carboxamide
CID 109228070

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[5-(pentylcarbamoyl)-3-pyridinyl]amino]benzoate?
The IUPAC name of methyl 3-[[5-(pentylcarbamoyl)-3-pyridinyl]amino]benzoate (CID 109240080) is methyl 3-[[5-(pentylcarbamoyl)-3-pyridinyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[5-(pentylcarbamoyl)-3-pyridinyl]amino]benzoate?
The canonical SMILES for methyl 3-[[5-(pentylcarbamoyl)-3-pyridinyl]amino]benzoate is CCCCCNC(=O)c1cncc(Nc2cccc(C(=O)OC)c2)c1.
What is the InChIKey of methyl 3-[[5-(pentylcarbamoyl)-3-pyridinyl]amino]benzoate?
The InChIKey is ZMMLSBKHIDXIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-3-4-5-9-21-18(23)15-11-17(13-20-12-15)22-16-8-6-7-14(10-16)19(24)25-2/h6-8,10-13,22H,3-5,9H2,1-2H3,(H,21,23).
What are the key properties of methyl 3-[[5-(pentylcarbamoyl)-3-pyridinyl]amino]benzoate?
methyl 3-[[5-(pentylcarbamoyl)-3-pyridinyl]amino]benzoate has a molecular weight of 341.41 g/mol, XLogP of 3.53, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[5-(pentylcarbamoyl)-3-pyridinyl]amino]benzoate is sourced from PubChem (CID 109240080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).