methyl 6-[[2-(benzylcarbamoyl)phenyl]carbamoyl]pyridine-3-carboxylate

C22H19N3O4 — CID 39977098

IUPACmethyl 6-[[2-(benzylcarbamoyl)phenyl]carbamoyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccccc2)nc1
InChIInChI=1S/C22H19N3O4/c1-29-22(28)16-11-12-19(23-14-16)21(27)25-18-10-6-5-9-17(18)20(26)24-13-15-7-3-2-4-8-15/h2-12,14H,13H2,1H3,(H,24,26)(H,25,27)
InChIKeyJKTQLUJFCKGUAF-UHFFFAOYSA-N
MW389.41 g/mol
LogP3.05
Rot. Bonds6

About methyl 6-[[2-(benzylcarbamoyl)phenyl]carbamoyl]pyridine-3-carboxylate

methyl 6-[[2-(benzylcarbamoyl)phenyl]carbamoyl]pyridine-3-carboxylate (PubChem CID 39977098) has the molecular formula C22H19N3O4 and a molecular weight of 389.41 g/mol. Its IUPAC name is methyl 6-[[2-(benzylcarbamoyl)phenyl]carbamoyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[2-(benzylcarbamoyl)phenyl]carbamoyl]pyridine-3-carboxylate
PubChem CID39977098
Molecular FormulaC22H19N3O4
Molecular Weight389.41 g/mol
Exact Mass389.14
IUPAC Namemethyl 6-[[2-(benzylcarbamoyl)phenyl]carbamoyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccccc2)nc1
InChIInChI=1S/C22H19N3O4/c1-29-22(28)16-11-12-19(23-14-16)21(27)25-18-10-6-5-9-17(18)20(26)24-13-15-7-3-2-4-8-15/h2-12,14H,13H2,1H3,(H,24,26)(H,25,27)
InChIKeyJKTQLUJFCKGUAF-UHFFFAOYSA-N
XLogP3.05
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-[(4-fluorobenzoyl)amino]benzamide
CID 895615
N-[2-(benzylcarbamoyl)phenyl]-3-bromo-4-(2-methoxyethoxy)benzamide
CID 17356400
methyl 4-[[2-(2-phenylethylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17178238
methyl 4-[[2-(benzylcarbamoyl)phenoxy]methyl]benzoate
CID 7981645
N-benzyl-2-[[4-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 4952787
N-benzyl-2-[(4-bromobenzoyl)amino]benzamide
CID 17256451
methyl 2-[[5-[benzyl(ethyl)amino]pyridine-2-carbonyl]amino]benzoate
CID 109190861
methyl 3-[[2-[2-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate
CID 47013640
[2-[2-[(4-methylphenyl)methylcarbamoyl]anilino]-2-oxoethyl] 6-methylpyridine-3-carboxylate
CID 46511969
N-benzyl-2-[(4-prop-2-enoxybenzoyl)amino]benzamide
CID 4945203
6-methoxy-N-[2-(2-phenylethylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 33253802
2-[(4-methoxybenzoyl)amino]-N-(pyridin-3-ylmethyl)benzamide
CID 991450

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[2-(benzylcarbamoyl)phenyl]carbamoyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[[2-(benzylcarbamoyl)phenyl]carbamoyl]pyridine-3-carboxylate (CID 39977098) is methyl 6-[[2-(benzylcarbamoyl)phenyl]carbamoyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[[2-(benzylcarbamoyl)phenyl]carbamoyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[[2-(benzylcarbamoyl)phenyl]carbamoyl]pyridine-3-carboxylate is COC(=O)c1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccccc2)nc1.
What is the InChIKey of methyl 6-[[2-(benzylcarbamoyl)phenyl]carbamoyl]pyridine-3-carboxylate?
The InChIKey is JKTQLUJFCKGUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4/c1-29-22(28)16-11-12-19(23-14-16)21(27)25-18-10-6-5-9-17(18)20(26)24-13-15-7-3-2-4-8-15/h2-12,14H,13H2,1H3,(H,24,26)(H,25,27).
What are the key properties of methyl 6-[[2-(benzylcarbamoyl)phenyl]carbamoyl]pyridine-3-carboxylate?
methyl 6-[[2-(benzylcarbamoyl)phenyl]carbamoyl]pyridine-3-carboxylate has a molecular weight of 389.41 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[2-(benzylcarbamoyl)phenyl]carbamoyl]pyridine-3-carboxylate is sourced from PubChem (CID 39977098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).