methyl 3-[(naphthalene-2-carbonylamino)methyl]-5-[(2-pyrazol-1-ylacetyl)amino]benzoate

C25H22N4O4 — CID 26319198

IUPACmethyl 3-[(naphthalene-2-carbonylamino)methyl]-5-[(2-pyrazol-1-ylacetyl)amino]benzoate
SMILESCOC(=O)c1cc(CNC(=O)c2ccc3ccccc3c2)cc(NC(=O)Cn2cccn2)c1
InChIInChI=1S/C25H22N4O4/c1-33-25(32)21-11-17(12-22(14-21)28-23(30)16-29-10-4-9-27-29)15-26-24(31)20-8-7-18-5-2-3-6-19(18)13-20/h2-14H,15-16H2,1H3,(H,26,31)(H,28,30)
InChIKeyXQGIINFEEWLWAT-UHFFFAOYSA-N
MW442.48 g/mol
LogP3.39
Rot. Bonds7

About methyl 3-[(naphthalene-2-carbonylamino)methyl]-5-[(2-pyrazol-1-ylacetyl)amino]benzoate

methyl 3-[(naphthalene-2-carbonylamino)methyl]-5-[(2-pyrazol-1-ylacetyl)amino]benzoate (PubChem CID 26319198) has the molecular formula C25H22N4O4 and a molecular weight of 442.48 g/mol. Its IUPAC name is methyl 3-[(naphthalene-2-carbonylamino)methyl]-5-[(2-pyrazol-1-ylacetyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[(naphthalene-2-carbonylamino)methyl]-5-[(2-pyrazol-1-ylacetyl)amino]benzoate
PubChem CID26319198
Molecular FormulaC25H22N4O4
Molecular Weight442.48 g/mol
Exact Mass442.16
IUPAC Namemethyl 3-[(naphthalene-2-carbonylamino)methyl]-5-[(2-pyrazol-1-ylacetyl)amino]benzoate
SMILESCOC(=O)c1cc(CNC(=O)c2ccc3ccccc3c2)cc(NC(=O)Cn2cccn2)c1
InChIInChI=1S/C25H22N4O4/c1-33-25(32)21-11-17(12-22(14-21)28-23(30)16-29-10-4-9-27-29)15-26-24(31)20-8-7-18-5-2-3-6-19(18)13-20/h2-14H,15-16H2,1H3,(H,26,31)(H,28,30)
InChIKeyXQGIINFEEWLWAT-UHFFFAOYSA-N
XLogP3.39
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 3-[(naphthalene-2-carbonylamino)methyl]-5-[(2-pyrazol-1-ylacetyl)amino]benzoate with MolForge

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Related Compounds

methyl 3-[[(4-chlorobenzoyl)amino]methyl]-5-[(2-pyrazol-1-ylacetyl)amino]benzoate
CID 26274916
methyl 3-[[(3-fluorobenzoyl)amino]methyl]-5-[(2-pyrazol-1-ylacetyl)amino]benzoate
CID 25290649
methyl 3-[[(3,5-dimethoxybenzoyl)amino]methyl]-5-[(2-phenylacetyl)amino]benzoate
CID 42406364
3-(2-methylpropoxy)-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide
CID 55977960
4-chloro-3-methylsulfonyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide
CID 55978865
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide
CID 55954551
N-[(4-methoxyphenyl)methyl]naphthalene-2-carboxamide
CID 883831
methyl 3-[[(4-imidazol-1-ylbenzoyl)amino]methyl]-5-[(3-methoxybenzoyl)amino]benzoate
CID 42431459
N-[(3,4,5-trimethoxyphenyl)methyl]naphthalene-2-carboxamide
CID 41261586
3,3-diphenyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]propanamide
CID 52719151
3-(cyclopropylsulfamoyl)-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzamide
CID 55953779
N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]benzo[f]quinoline-5-carboxamide
CID 55953532

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(naphthalene-2-carbonylamino)methyl]-5-[(2-pyrazol-1-ylacetyl)amino]benzoate?
The IUPAC name of methyl 3-[(naphthalene-2-carbonylamino)methyl]-5-[(2-pyrazol-1-ylacetyl)amino]benzoate (CID 26319198) is methyl 3-[(naphthalene-2-carbonylamino)methyl]-5-[(2-pyrazol-1-ylacetyl)amino]benzoate.
What is the SMILES notation for methyl 3-[(naphthalene-2-carbonylamino)methyl]-5-[(2-pyrazol-1-ylacetyl)amino]benzoate?
The canonical SMILES for methyl 3-[(naphthalene-2-carbonylamino)methyl]-5-[(2-pyrazol-1-ylacetyl)amino]benzoate is COC(=O)c1cc(CNC(=O)c2ccc3ccccc3c2)cc(NC(=O)Cn2cccn2)c1.
What is the InChIKey of methyl 3-[(naphthalene-2-carbonylamino)methyl]-5-[(2-pyrazol-1-ylacetyl)amino]benzoate?
The InChIKey is XQGIINFEEWLWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O4/c1-33-25(32)21-11-17(12-22(14-21)28-23(30)16-29-10-4-9-27-29)15-26-24(31)20-8-7-18-5-2-3-6-19(18)13-20/h2-14H,15-16H2,1H3,(H,26,31)(H,28,30).
What are the key properties of methyl 3-[(naphthalene-2-carbonylamino)methyl]-5-[(2-pyrazol-1-ylacetyl)amino]benzoate?
methyl 3-[(naphthalene-2-carbonylamino)methyl]-5-[(2-pyrazol-1-ylacetyl)amino]benzoate has a molecular weight of 442.48 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(naphthalene-2-carbonylamino)methyl]-5-[(2-pyrazol-1-ylacetyl)amino]benzoate is sourced from PubChem (CID 26319198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).