methyl 4-[[6-(3-methoxypropylamino)pyridine-3-carbonyl]amino]benzoate

C18H21N3O4 — CID 109153220

IUPACmethyl 4-[[6-(3-methoxypropylamino)pyridine-3-carbonyl]amino]benzoate
SMILESCOCCCNc1ccc(C(=O)Nc2ccc(C(=O)OC)cc2)cn1
InChIInChI=1S/C18H21N3O4/c1-24-11-3-10-19-16-9-6-14(12-20-16)17(22)21-15-7-4-13(5-8-15)18(23)25-2/h4-9,12H,3,10-11H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyWYYDCIORERXKEN-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.57
Rot. Bonds8

About methyl 4-[[6-(3-methoxypropylamino)pyridine-3-carbonyl]amino]benzoate

methyl 4-[[6-(3-methoxypropylamino)pyridine-3-carbonyl]amino]benzoate (PubChem CID 109153220) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is methyl 4-[[6-(3-methoxypropylamino)pyridine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[6-(3-methoxypropylamino)pyridine-3-carbonyl]amino]benzoate
PubChem CID109153220
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Namemethyl 4-[[6-(3-methoxypropylamino)pyridine-3-carbonyl]amino]benzoate
SMILESCOCCCNc1ccc(C(=O)Nc2ccc(C(=O)OC)cc2)cn1
InChIInChI=1S/C18H21N3O4/c1-24-11-3-10-19-16-9-6-14(12-20-16)17(22)21-15-7-4-13(5-8-15)18(23)25-2/h4-9,12H,3,10-11H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyWYYDCIORERXKEN-UHFFFAOYSA-N
XLogP2.57
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetamidophenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109153217
N-(4-ethoxyphenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109153204
N-[4-(diethylamino)phenyl]-6-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109153224
4-tert-butyl-N-[6-(3-methoxypropylamino)-3-pyridinyl]benzamide
CID 113010472
N-(3-acetamidophenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109153216
methyl 4-[[6-(prop-2-enylamino)pyridine-3-carbonyl]amino]benzoate
CID 109151459
6-(3-methoxypropylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 109151323
methyl 4-[[6-[(4-methylphenyl)methylamino]pyridine-3-carbonyl]amino]benzoate
CID 109156010
N-(2-bromophenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109153234
6-(butylamino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109151550
4-(dimethylsulfamoyl)-N-[6-(3-methoxypropylamino)-3-pyridinyl]benzamide
CID 113010487
N-(4-tert-butylphenyl)-6-(pentylamino)pyridine-3-carboxamide
CID 109161313

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[6-(3-methoxypropylamino)pyridine-3-carbonyl]amino]benzoate?
The IUPAC name of methyl 4-[[6-(3-methoxypropylamino)pyridine-3-carbonyl]amino]benzoate (CID 109153220) is methyl 4-[[6-(3-methoxypropylamino)pyridine-3-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[6-(3-methoxypropylamino)pyridine-3-carbonyl]amino]benzoate?
The canonical SMILES for methyl 4-[[6-(3-methoxypropylamino)pyridine-3-carbonyl]amino]benzoate is COCCCNc1ccc(C(=O)Nc2ccc(C(=O)OC)cc2)cn1.
What is the InChIKey of methyl 4-[[6-(3-methoxypropylamino)pyridine-3-carbonyl]amino]benzoate?
The InChIKey is WYYDCIORERXKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-24-11-3-10-19-16-9-6-14(12-20-16)17(22)21-15-7-4-13(5-8-15)18(23)25-2/h4-9,12H,3,10-11H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of methyl 4-[[6-(3-methoxypropylamino)pyridine-3-carbonyl]amino]benzoate?
methyl 4-[[6-(3-methoxypropylamino)pyridine-3-carbonyl]amino]benzoate has a molecular weight of 343.38 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[6-(3-methoxypropylamino)pyridine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 109153220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).