methyl 2-[[5-[benzyl(ethyl)amino]pyridine-2-carbonyl]amino]benzoate

C23H23N3O3 — CID 109190861

IUPACmethyl 2-[[5-[benzyl(ethyl)amino]pyridine-2-carbonyl]amino]benzoate
SMILESCCN(Cc1ccccc1)c1ccc(C(=O)Nc2ccccc2C(=O)OC)nc1
InChIInChI=1S/C23H23N3O3/c1-3-26(16-17-9-5-4-6-10-17)18-13-14-21(24-15-18)22(27)25-20-12-8-7-11-19(20)23(28)29-2/h4-15H,3,16H2,1-2H3,(H,25,27)
InChIKeyXNAHJNRMXDAIGL-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.15
Rot. Bonds7

About methyl 2-[[5-[benzyl(ethyl)amino]pyridine-2-carbonyl]amino]benzoate

methyl 2-[[5-[benzyl(ethyl)amino]pyridine-2-carbonyl]amino]benzoate (PubChem CID 109190861) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is methyl 2-[[5-[benzyl(ethyl)amino]pyridine-2-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[5-[benzyl(ethyl)amino]pyridine-2-carbonyl]amino]benzoate
PubChem CID109190861
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Namemethyl 2-[[5-[benzyl(ethyl)amino]pyridine-2-carbonyl]amino]benzoate
SMILESCCN(Cc1ccccc1)c1ccc(C(=O)Nc2ccccc2C(=O)OC)nc1
InChIInChI=1S/C23H23N3O3/c1-3-26(16-17-9-5-4-6-10-17)18-13-14-21(24-15-18)22(27)25-20-12-8-7-11-19(20)23(28)29-2/h4-15H,3,16H2,1-2H3,(H,25,27)
InChIKeyXNAHJNRMXDAIGL-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-(2-methylphenyl)pyridine-2-carboxamide
CID 109190820
5-[benzyl(ethyl)amino]-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109190822
5-[benzyl(ethyl)amino]-N-(3,4-dimethoxyphenyl)pyridine-2-carboxamide
CID 109190853
5-[benzyl(ethyl)amino]-N-butan-2-ylpyridine-2-carboxamide
CID 109181423
methyl 2-[[4-(diethylamino)pyridine-2-carbonyl]amino]benzoate
CID 109216568
5-[benzyl(ethyl)amino]-N-(3,4-dimethylphenyl)pyridine-2-carboxamide
CID 109190828
5-[benzyl(ethyl)amino]-N-cyclopentylpyridine-2-carboxamide
CID 109182187
5-(diethylamino)-N-phenylpyridine-2-carboxamide
CID 109194733
methyl 6-[[2-(benzylcarbamoyl)phenyl]carbamoyl]pyridine-3-carboxylate
CID 39977098
methyl 2-[[5-(butylamino)pyridine-2-carbonyl]amino]benzoate
CID 109180957
methyl 2-amino-3-[benzyl(ethyl)amino]benzoate
CID 115544694
methyl 2-amino-5-[benzyl(ethyl)amino]benzoate
CID 61307302

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-[benzyl(ethyl)amino]pyridine-2-carbonyl]amino]benzoate?
The IUPAC name of methyl 2-[[5-[benzyl(ethyl)amino]pyridine-2-carbonyl]amino]benzoate (CID 109190861) is methyl 2-[[5-[benzyl(ethyl)amino]pyridine-2-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[5-[benzyl(ethyl)amino]pyridine-2-carbonyl]amino]benzoate?
The canonical SMILES for methyl 2-[[5-[benzyl(ethyl)amino]pyridine-2-carbonyl]amino]benzoate is CCN(Cc1ccccc1)c1ccc(C(=O)Nc2ccccc2C(=O)OC)nc1.
What is the InChIKey of methyl 2-[[5-[benzyl(ethyl)amino]pyridine-2-carbonyl]amino]benzoate?
The InChIKey is XNAHJNRMXDAIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-3-26(16-17-9-5-4-6-10-17)18-13-14-21(24-15-18)22(27)25-20-12-8-7-11-19(20)23(28)29-2/h4-15H,3,16H2,1-2H3,(H,25,27).
What are the key properties of methyl 2-[[5-[benzyl(ethyl)amino]pyridine-2-carbonyl]amino]benzoate?
methyl 2-[[5-[benzyl(ethyl)amino]pyridine-2-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 2-[[5-[benzyl(ethyl)amino]pyridine-2-carbonyl]amino]benzoate is sourced from PubChem (CID 109190861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).