methyl 3-[[2-(dipropylcarbamoyl)pyridine-4-carbonyl]amino]benzoate

C21H25N3O4 — CID 109090593

IUPACmethyl 3-[[2-(dipropylcarbamoyl)pyridine-4-carbonyl]amino]benzoate
SMILESCCCN(CCC)C(=O)c1cc(C(=O)Nc2cccc(C(=O)OC)c2)ccn1
InChIInChI=1S/C21H25N3O4/c1-4-11-24(12-5-2)20(26)18-14-15(9-10-22-18)19(25)23-17-8-6-7-16(13-17)21(27)28-3/h6-10,13-14H,4-5,11-12H2,1-3H3,(H,23,25)
InChIKeyOAMNZJQMXFOZKT-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.38
Rot. Bonds8

About methyl 3-[[2-(dipropylcarbamoyl)pyridine-4-carbonyl]amino]benzoate

methyl 3-[[2-(dipropylcarbamoyl)pyridine-4-carbonyl]amino]benzoate (PubChem CID 109090593) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is methyl 3-[[2-(dipropylcarbamoyl)pyridine-4-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[2-(dipropylcarbamoyl)pyridine-4-carbonyl]amino]benzoate
PubChem CID109090593
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Namemethyl 3-[[2-(dipropylcarbamoyl)pyridine-4-carbonyl]amino]benzoate
SMILESCCCN(CCC)C(=O)c1cc(C(=O)Nc2cccc(C(=O)OC)c2)ccn1
InChIInChI=1S/C21H25N3O4/c1-4-11-24(12-5-2)20(26)18-14-15(9-10-22-18)19(25)23-17-8-6-7-16(13-17)21(27)28-3/h6-10,13-14H,4-5,11-12H2,1-3H3,(H,23,25)
InChIKeyOAMNZJQMXFOZKT-UHFFFAOYSA-N
XLogP3.38
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(3-acetylphenyl)-2-N,2-N-dipropylpyridine-2,4-dicarboxamide
CID 109090588
methyl 3-[[3-(dipropylcarbamoyl)benzoyl]amino]benzoate
CID 109056644
methyl 3-[[2-(propylcarbamoyl)pyridine-4-carbonyl]amino]benzoate
CID 109077959
4-N-(4-methoxyphenyl)-2-N,2-N-dipropylpyridine-2,4-dicarboxamide
CID 109090576
methyl 3-[[2-[methyl(phenyl)carbamoyl]pyridine-4-carbonyl]amino]benzoate
CID 109091517
methyl 3-(dipropylcarbamoylamino)benzoate
CID 108990977
methyl 3-[[4-(prop-2-enylcarbamoyl)pyridine-2-carbonyl]amino]benzoate
CID 109078938
methyl 3-[[2-[butyl(methyl)amino]pyridine-4-carbonyl]amino]benzoate
CID 109175597
2-N-(3-acetamidophenyl)-4-N,4-N-dipropylpyridine-2,4-dicarboxamide
CID 109090505
4-N-[4-(diethylamino)phenyl]-2-N,2-N-dipropylpyridine-2,4-dicarboxamide
CID 109090596
4-N-(3-acetamidophenyl)-2-N,2-N-diethylpyridine-2,4-dicarboxamide
CID 109088967
methyl 3-[[2-[(4-fluorophenyl)carbamoyl]pyridine-4-carbonyl]amino]benzoate
CID 109092752

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(dipropylcarbamoyl)pyridine-4-carbonyl]amino]benzoate?
The IUPAC name of methyl 3-[[2-(dipropylcarbamoyl)pyridine-4-carbonyl]amino]benzoate (CID 109090593) is methyl 3-[[2-(dipropylcarbamoyl)pyridine-4-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[2-(dipropylcarbamoyl)pyridine-4-carbonyl]amino]benzoate?
The canonical SMILES for methyl 3-[[2-(dipropylcarbamoyl)pyridine-4-carbonyl]amino]benzoate is CCCN(CCC)C(=O)c1cc(C(=O)Nc2cccc(C(=O)OC)c2)ccn1.
What is the InChIKey of methyl 3-[[2-(dipropylcarbamoyl)pyridine-4-carbonyl]amino]benzoate?
The InChIKey is OAMNZJQMXFOZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-4-11-24(12-5-2)20(26)18-14-15(9-10-22-18)19(25)23-17-8-6-7-16(13-17)21(27)28-3/h6-10,13-14H,4-5,11-12H2,1-3H3,(H,23,25).
What are the key properties of methyl 3-[[2-(dipropylcarbamoyl)pyridine-4-carbonyl]amino]benzoate?
methyl 3-[[2-(dipropylcarbamoyl)pyridine-4-carbonyl]amino]benzoate has a molecular weight of 383.45 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(dipropylcarbamoyl)pyridine-4-carbonyl]amino]benzoate is sourced from PubChem (CID 109090593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).