N-[(3-amino-4-methylphenyl)methyl]-2-[4-methyl-1-(naphthalen-1-ylsulfonylamino)-6-oxo-2,3-dihydropyridin-5-yl]acetamide

C26H28N4O4S — CID 91040335

IUPACN-[(3-amino-4-methylphenyl)methyl]-2-[4-methyl-1-(naphthalen-1-ylsulfonylamino)-6-oxo-2,3-dihydropyridin-5-yl]acetamide
SMILESCC1=C(CC(=O)NCc2ccc(C)c(N)c2)C(=O)N(NS(=O)(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C26H28N4O4S/c1-17-12-13-30(29-35(33,34)24-9-5-7-20-6-3-4-8-21(20)24)26(32)22(17)15-25(31)28-16-19-11-10-18(2)23(27)14-19/h3-11,14,29H,12-13,15-16,27H2,1-2H3,(H,28,31)
InChIKeyCAOQYIGUQNLCOS-UHFFFAOYSA-N
MW492.60 g/mol
LogP3.18
Rot. Bonds7

About N-[(3-amino-4-methylphenyl)methyl]-2-[4-methyl-1-(naphthalen-1-ylsulfonylamino)-6-oxo-2,3-dihydropyridin-5-yl]acetamide

N-[(3-amino-4-methylphenyl)methyl]-2-[4-methyl-1-(naphthalen-1-ylsulfonylamino)-6-oxo-2,3-dihydropyridin-5-yl]acetamide (PubChem CID 91040335) has the molecular formula C26H28N4O4S and a molecular weight of 492.60 g/mol. Its IUPAC name is N-[(3-amino-4-methylphenyl)methyl]-2-[4-methyl-1-(naphthalen-1-ylsulfonylamino)-6-oxo-2,3-dihydropyridin-5-yl]acetamide.

Molecular Properties

Compound NameN-[(3-amino-4-methylphenyl)methyl]-2-[4-methyl-1-(naphthalen-1-ylsulfonylamino)-6-oxo-2,3-dihydropyridin-5-yl]acetamide
PubChem CID91040335
Molecular FormulaC26H28N4O4S
Molecular Weight492.60 g/mol
Exact Mass492.18
IUPAC NameN-[(3-amino-4-methylphenyl)methyl]-2-[4-methyl-1-(naphthalen-1-ylsulfonylamino)-6-oxo-2,3-dihydropyridin-5-yl]acetamide
SMILESCC1=C(CC(=O)NCc2ccc(C)c(N)c2)C(=O)N(NS(=O)(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C26H28N4O4S/c1-17-12-13-30(29-35(33,34)24-9-5-7-20-6-3-4-8-21(20)24)26(32)22(17)15-25(31)28-16-19-11-10-18(2)23(27)14-19/h3-11,14,29H,12-13,15-16,27H2,1-2H3,(H,28,31)
InChIKeyCAOQYIGUQNLCOS-UHFFFAOYSA-N
XLogP3.18
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.60
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

benzyl N-[4-[[[2-[1-(benzenesulfonamido)-4-methyl-6-oxo-2,3-dihydropyridin-5-yl]acetyl]amino]methyl]benzenecarboximidoyl]carbamate
CID 140513391
3-[[[5-[2-[[5-chloro-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methylamino]-2-oxoethyl]-4-methyl-6-oxo-2,3-dihydropyridin-1-yl]amino]methyl]benzoic acid
CID 155519487
N-[(3-aminophenyl)methyl]-2-(3,4-dimethylphenyl)acetamide
CID 62553117
2-methylaniline;naphthalene-1-sulfonic acid
CID 87775732
N-[2-(diaminomethylideneamino)oxyethyl]-2-[4-methyl-6-oxo-1-(2-phenylethylamino)-2,3-dihydropyridin-5-yl]acetamide
CID 87870995
benzyl N-[4-[[[2-[4-methyl-1-(naphthalen-1-ylsulfonylamino)-2-oxo-3-pyridinyl]acetyl]amino]methyl]benzenecarboximidoyl]carbamate
CID 140516934
4-[(naphthalen-1-ylsulfonylamino)methyl]benzoic acid
CID 67120728
3-amino-N-benzyl-4-methylbenzamide
CID 12607982
ethyl N-[(3-amino-4-methylphenyl)methyl]carbamate
CID 58780499
N-[2-(naphthalen-1-ylsulfonylamino)ethyl]propanamide
CID 170551201
N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]-2-naphthalen-1-ylacetamide
CID 108736162
2-(2,3-dihydro-1H-inden-5-yl)-N-[[3-(methylsulfamoyl)phenyl]methyl]acetamide
CID 34640391

Frequently Asked Questions

What is the IUPAC name of N-[(3-amino-4-methylphenyl)methyl]-2-[4-methyl-1-(naphthalen-1-ylsulfonylamino)-6-oxo-2,3-dihydropyridin-5-yl]acetamide?
The IUPAC name of N-[(3-amino-4-methylphenyl)methyl]-2-[4-methyl-1-(naphthalen-1-ylsulfonylamino)-6-oxo-2,3-dihydropyridin-5-yl]acetamide (CID 91040335) is N-[(3-amino-4-methylphenyl)methyl]-2-[4-methyl-1-(naphthalen-1-ylsulfonylamino)-6-oxo-2,3-dihydropyridin-5-yl]acetamide.
What is the SMILES notation for N-[(3-amino-4-methylphenyl)methyl]-2-[4-methyl-1-(naphthalen-1-ylsulfonylamino)-6-oxo-2,3-dihydropyridin-5-yl]acetamide?
The canonical SMILES for N-[(3-amino-4-methylphenyl)methyl]-2-[4-methyl-1-(naphthalen-1-ylsulfonylamino)-6-oxo-2,3-dihydropyridin-5-yl]acetamide is CC1=C(CC(=O)NCc2ccc(C)c(N)c2)C(=O)N(NS(=O)(=O)c2cccc3ccccc23)CC1.
What is the InChIKey of N-[(3-amino-4-methylphenyl)methyl]-2-[4-methyl-1-(naphthalen-1-ylsulfonylamino)-6-oxo-2,3-dihydropyridin-5-yl]acetamide?
The InChIKey is CAOQYIGUQNLCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O4S/c1-17-12-13-30(29-35(33,34)24-9-5-7-20-6-3-4-8-21(20)24)26(32)22(17)15-25(31)28-16-19-11-10-18(2)23(27)14-19/h3-11,14,29H,12-13,15-16,27H2,1-2H3,(H,28,31).
What are the key properties of N-[(3-amino-4-methylphenyl)methyl]-2-[4-methyl-1-(naphthalen-1-ylsulfonylamino)-6-oxo-2,3-dihydropyridin-5-yl]acetamide?
N-[(3-amino-4-methylphenyl)methyl]-2-[4-methyl-1-(naphthalen-1-ylsulfonylamino)-6-oxo-2,3-dihydropyridin-5-yl]acetamide has a molecular weight of 492.60 g/mol, XLogP of 3.18, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-amino-4-methylphenyl)methyl]-2-[4-methyl-1-(naphthalen-1-ylsulfonylamino)-6-oxo-2,3-dihydropyridin-5-yl]acetamide is sourced from PubChem (CID 91040335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).