[2-[2-[(4-methylphenyl)methylcarbamoyl]anilino]-2-oxoethyl] 6-methylpyridine-3-carboxylate

C24H23N3O4 — CID 46511969

IUPAC[2-[2-[(4-methylphenyl)methylcarbamoyl]anilino]-2-oxoethyl] 6-methylpyridine-3-carboxylate
SMILESCc1ccc(CNC(=O)c2ccccc2NC(=O)COC(=O)c2ccc(C)nc2)cc1
InChIInChI=1S/C24H23N3O4/c1-16-7-10-18(11-8-16)13-26-23(29)20-5-3-4-6-21(20)27-22(28)15-31-24(30)19-12-9-17(2)25-14-19/h3-12,14H,13,15H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyHCKSAIPPJKZAOC-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.42
Rot. Bonds7

About [2-[2-[(4-methylphenyl)methylcarbamoyl]anilino]-2-oxoethyl] 6-methylpyridine-3-carboxylate

[2-[2-[(4-methylphenyl)methylcarbamoyl]anilino]-2-oxoethyl] 6-methylpyridine-3-carboxylate (PubChem CID 46511969) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is [2-[2-[(4-methylphenyl)methylcarbamoyl]anilino]-2-oxoethyl] 6-methylpyridine-3-carboxylate.

Molecular Properties

Compound Name[2-[2-[(4-methylphenyl)methylcarbamoyl]anilino]-2-oxoethyl] 6-methylpyridine-3-carboxylate
PubChem CID46511969
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC Name[2-[2-[(4-methylphenyl)methylcarbamoyl]anilino]-2-oxoethyl] 6-methylpyridine-3-carboxylate
SMILESCc1ccc(CNC(=O)c2ccccc2NC(=O)COC(=O)c2ccc(C)nc2)cc1
InChIInChI=1S/C24H23N3O4/c1-16-7-10-18(11-8-16)13-26-23(29)20-5-3-4-6-21(20)27-22(28)15-31-24(30)19-12-9-17(2)25-14-19/h3-12,14H,13,15H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyHCKSAIPPJKZAOC-UHFFFAOYSA-N
XLogP3.42
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[2-[(4-methylphenyl)methylcarbamoyl]anilino]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
CID 29387354
2-[[2-(4-methylphenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 52891720
[2-[2-[(4-methylphenyl)methylcarbamoyl]anilino]-2-oxoethyl] 3-(methylsulfonylmethyl)benzoate
CID 27749348
[2-oxo-2-[2-(2-phenylethylcarbamoyl)anilino]ethyl] 4-methylbenzoate
CID 9018254
2-[[2-(4-fluorophenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 55327835
2-[[2-(3-carbamoylphenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 55910870
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 6-methylpyridine-3-carboxylate
CID 31172090
2-[[2-(3-acetylphenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 52891404
2-[[2-(3-methoxyphenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 112787422
ethyl 2-[[2-(4-methylbenzoyl)oxyacetyl]amino]benzoate
CID 2506632
[2-[2-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl] 6-chloropyridine-3-carboxylate
CID 9201730
N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-6-methylpyridine-3-carboxamide
CID 17491605

Frequently Asked Questions

What is the IUPAC name of [2-[2-[(4-methylphenyl)methylcarbamoyl]anilino]-2-oxoethyl] 6-methylpyridine-3-carboxylate?
The IUPAC name of [2-[2-[(4-methylphenyl)methylcarbamoyl]anilino]-2-oxoethyl] 6-methylpyridine-3-carboxylate (CID 46511969) is [2-[2-[(4-methylphenyl)methylcarbamoyl]anilino]-2-oxoethyl] 6-methylpyridine-3-carboxylate.
What is the SMILES notation for [2-[2-[(4-methylphenyl)methylcarbamoyl]anilino]-2-oxoethyl] 6-methylpyridine-3-carboxylate?
The canonical SMILES for [2-[2-[(4-methylphenyl)methylcarbamoyl]anilino]-2-oxoethyl] 6-methylpyridine-3-carboxylate is Cc1ccc(CNC(=O)c2ccccc2NC(=O)COC(=O)c2ccc(C)nc2)cc1.
What is the InChIKey of [2-[2-[(4-methylphenyl)methylcarbamoyl]anilino]-2-oxoethyl] 6-methylpyridine-3-carboxylate?
The InChIKey is HCKSAIPPJKZAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4/c1-16-7-10-18(11-8-16)13-26-23(29)20-5-3-4-6-21(20)27-22(28)15-31-24(30)19-12-9-17(2)25-14-19/h3-12,14H,13,15H2,1-2H3,(H,26,29)(H,27,28).
What are the key properties of [2-[2-[(4-methylphenyl)methylcarbamoyl]anilino]-2-oxoethyl] 6-methylpyridine-3-carboxylate?
[2-[2-[(4-methylphenyl)methylcarbamoyl]anilino]-2-oxoethyl] 6-methylpyridine-3-carboxylate has a molecular weight of 417.47 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[(4-methylphenyl)methylcarbamoyl]anilino]-2-oxoethyl] 6-methylpyridine-3-carboxylate is sourced from PubChem (CID 46511969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).