methyl 3-[[5-[benzyl(ethyl)amino]pyridine-3-carbonyl]amino]benzoate

C23H23N3O3 — CID 109234896

IUPACmethyl 3-[[5-[benzyl(ethyl)amino]pyridine-3-carbonyl]amino]benzoate
SMILESCCN(Cc1ccccc1)c1cncc(C(=O)Nc2cccc(C(=O)OC)c2)c1
InChIInChI=1S/C23H23N3O3/c1-3-26(16-17-8-5-4-6-9-17)21-13-19(14-24-15-21)22(27)25-20-11-7-10-18(12-20)23(28)29-2/h4-15H,3,16H2,1-2H3,(H,25,27)
InChIKeyCWEGIPMIXVEYKQ-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.15
Rot. Bonds7

About methyl 3-[[5-[benzyl(ethyl)amino]pyridine-3-carbonyl]amino]benzoate

methyl 3-[[5-[benzyl(ethyl)amino]pyridine-3-carbonyl]amino]benzoate (PubChem CID 109234896) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is methyl 3-[[5-[benzyl(ethyl)amino]pyridine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[5-[benzyl(ethyl)amino]pyridine-3-carbonyl]amino]benzoate
PubChem CID109234896
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Namemethyl 3-[[5-[benzyl(ethyl)amino]pyridine-3-carbonyl]amino]benzoate
SMILESCCN(Cc1ccccc1)c1cncc(C(=O)Nc2cccc(C(=O)OC)c2)c1
InChIInChI=1S/C23H23N3O3/c1-3-26(16-17-8-5-4-6-9-17)21-13-19(14-24-15-21)22(27)25-20-11-7-10-18(12-20)23(28)29-2/h4-15H,3,16H2,1-2H3,(H,25,27)
InChIKeyCWEGIPMIXVEYKQ-UHFFFAOYSA-N
XLogP4.15
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[benzyl(ethyl)amino]-N-phenylpyridine-3-carboxamide
CID 109234844
5-[benzyl(ethyl)amino]-N-(3-chloro-4-methylphenyl)pyridine-3-carboxamide
CID 109234873
5-[benzyl(ethyl)amino]-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109234877
5-(diethylamino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109238900
5-[benzyl(ethyl)amino]-N-(5-chloro-2-methoxyphenyl)pyridine-3-carboxamide
CID 109234876
methyl 3-[[5-(butylcarbamoyl)pyridine-3-carbonyl]amino]benzoate
CID 109102052
5-(dipropylamino)-N-phenylpyridine-3-carboxamide
CID 109241022
methyl 3-[[5-[2-(dimethylamino)ethylcarbamoyl]pyridine-3-carbonyl]amino]benzoate
CID 109104143
methyl 3-[[5-(3-acetylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109245797
methyl 3-[[3-[benzyl(ethyl)amino]-3-oxopropanoyl]amino]benzoate
CID 108947389
methyl 3-[[5-(2-methylpropylcarbamoyl)pyridine-3-carbonyl]amino]benzoate
CID 109102240
methyl 3-[3-[benzyl(ethyl)amino]propanoylamino]benzoate
CID 109023114

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[5-[benzyl(ethyl)amino]pyridine-3-carbonyl]amino]benzoate?
The IUPAC name of methyl 3-[[5-[benzyl(ethyl)amino]pyridine-3-carbonyl]amino]benzoate (CID 109234896) is methyl 3-[[5-[benzyl(ethyl)amino]pyridine-3-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[5-[benzyl(ethyl)amino]pyridine-3-carbonyl]amino]benzoate?
The canonical SMILES for methyl 3-[[5-[benzyl(ethyl)amino]pyridine-3-carbonyl]amino]benzoate is CCN(Cc1ccccc1)c1cncc(C(=O)Nc2cccc(C(=O)OC)c2)c1.
What is the InChIKey of methyl 3-[[5-[benzyl(ethyl)amino]pyridine-3-carbonyl]amino]benzoate?
The InChIKey is CWEGIPMIXVEYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-3-26(16-17-8-5-4-6-9-17)21-13-19(14-24-15-21)22(27)25-20-11-7-10-18(12-20)23(28)29-2/h4-15H,3,16H2,1-2H3,(H,25,27).
What are the key properties of methyl 3-[[5-[benzyl(ethyl)amino]pyridine-3-carbonyl]amino]benzoate?
methyl 3-[[5-[benzyl(ethyl)amino]pyridine-3-carbonyl]amino]benzoate has a molecular weight of 389.46 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[5-[benzyl(ethyl)amino]pyridine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 109234896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).