methyl 4-[[6-(propylcarbamoyl)-3-pyridinyl]amino]benzoate

C17H19N3O3 — CID 109179188

IUPACmethyl 4-[[6-(propylcarbamoyl)-3-pyridinyl]amino]benzoate
SMILESCCCNC(=O)c1ccc(Nc2ccc(C(=O)OC)cc2)cn1
InChIInChI=1S/C17H19N3O3/c1-3-10-18-16(21)15-9-8-14(11-19-15)20-13-6-4-12(5-7-13)17(22)23-2/h4-9,11,20H,3,10H2,1-2H3,(H,18,21)
InChIKeyRUTMRXAVWOLZJI-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.75
Rot. Bonds6

About methyl 4-[[6-(propylcarbamoyl)-3-pyridinyl]amino]benzoate

methyl 4-[[6-(propylcarbamoyl)-3-pyridinyl]amino]benzoate (PubChem CID 109179188) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is methyl 4-[[6-(propylcarbamoyl)-3-pyridinyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[6-(propylcarbamoyl)-3-pyridinyl]amino]benzoate
PubChem CID109179188
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Namemethyl 4-[[6-(propylcarbamoyl)-3-pyridinyl]amino]benzoate
SMILESCCCNC(=O)c1ccc(Nc2ccc(C(=O)OC)cc2)cn1
InChIInChI=1S/C17H19N3O3/c1-3-10-18-16(21)15-9-8-14(11-19-15)20-13-6-4-12(5-7-13)17(22)23-2/h4-9,11,20H,3,10H2,1-2H3,(H,18,21)
InChIKeyRUTMRXAVWOLZJI-UHFFFAOYSA-N
XLogP2.75
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[[6-(propylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109179210
methyl 4-[[6-[2-(2-fluorophenyl)ethylcarbamoyl]-3-pyridinyl]amino]benzoate
CID 109192216
5-(4-cyanoanilino)-N-propylpyridine-2-carboxamide
CID 109179230
methyl 4-[[5-(4-chloroanilino)pyridine-2-carbonyl]amino]benzoate
CID 109199301
methyl 4-[[6-[(4-fluorophenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109198978
ethyl 4-[[6-[2-(dimethylamino)ethylcarbamoyl]-3-pyridinyl]amino]benzoate
CID 109185434
methyl 4-[[6-[(3,5-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109198170
methyl 4-[[6-[(3-chloro-4-methylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109199478
5-hydrazinyl-N-propylpyridine-2-carboxamide
CID 104642261
N-(2-methoxyethyl)-5-(4-methylanilino)pyridine-2-carboxamide
CID 109183906
5-[4-[(4-chlorophenyl)methoxy]anilino]-N-propylpyridine-2-carboxamide
CID 109179216
methyl 4-[[5-(pentylamino)pyridine-2-carbonyl]amino]benzoate
CID 109195883

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[6-(propylcarbamoyl)-3-pyridinyl]amino]benzoate?
The IUPAC name of methyl 4-[[6-(propylcarbamoyl)-3-pyridinyl]amino]benzoate (CID 109179188) is methyl 4-[[6-(propylcarbamoyl)-3-pyridinyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[6-(propylcarbamoyl)-3-pyridinyl]amino]benzoate?
The canonical SMILES for methyl 4-[[6-(propylcarbamoyl)-3-pyridinyl]amino]benzoate is CCCNC(=O)c1ccc(Nc2ccc(C(=O)OC)cc2)cn1.
What is the InChIKey of methyl 4-[[6-(propylcarbamoyl)-3-pyridinyl]amino]benzoate?
The InChIKey is RUTMRXAVWOLZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-3-10-18-16(21)15-9-8-14(11-19-15)20-13-6-4-12(5-7-13)17(22)23-2/h4-9,11,20H,3,10H2,1-2H3,(H,18,21).
What are the key properties of methyl 4-[[6-(propylcarbamoyl)-3-pyridinyl]amino]benzoate?
methyl 4-[[6-(propylcarbamoyl)-3-pyridinyl]amino]benzoate has a molecular weight of 313.36 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[6-(propylcarbamoyl)-3-pyridinyl]amino]benzoate is sourced from PubChem (CID 109179188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).