4,6-dimethyl-3-[(2-nitro-4-piperidin-1-ylsulfonylanilino)methyl]-1H-pyridin-2-one

C19H24N4O5S — CID 18095821

IUPAC4,6-dimethyl-3-[(2-nitro-4-piperidin-1-ylsulfonylanilino)methyl]-1H-pyridin-2-one
SMILESCc1cc(C)c(CNc2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])c(=O)[nH]1
InChIInChI=1S/C19H24N4O5S/c1-13-10-14(2)21-19(24)16(13)12-20-17-7-6-15(11-18(17)23(25)26)29(27,28)22-8-4-3-5-9-22/h6-7,10-11,20H,3-5,8-9,12H2,1-2H3,(H,21,24)
InChIKeyRVEBAQRZOZIZOL-UHFFFAOYSA-N
MW420.49 g/mol
LogP2.69
Rot. Bonds6

About 4,6-dimethyl-3-[(2-nitro-4-piperidin-1-ylsulfonylanilino)methyl]-1H-pyridin-2-one

4,6-dimethyl-3-[(2-nitro-4-piperidin-1-ylsulfonylanilino)methyl]-1H-pyridin-2-one (PubChem CID 18095821) has the molecular formula C19H24N4O5S and a molecular weight of 420.49 g/mol. Its IUPAC name is 4,6-dimethyl-3-[(2-nitro-4-piperidin-1-ylsulfonylanilino)methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4,6-dimethyl-3-[(2-nitro-4-piperidin-1-ylsulfonylanilino)methyl]-1H-pyridin-2-one
PubChem CID18095821
Molecular FormulaC19H24N4O5S
Molecular Weight420.49 g/mol
Exact Mass420.15
IUPAC Name4,6-dimethyl-3-[(2-nitro-4-piperidin-1-ylsulfonylanilino)methyl]-1H-pyridin-2-one
SMILESCc1cc(C)c(CNc2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])c(=O)[nH]1
InChIInChI=1S/C19H24N4O5S/c1-13-10-14(2)21-19(24)16(13)12-20-17-7-6-15(11-18(17)23(25)26)29(27,28)22-8-4-3-5-9-22/h6-7,10-11,20H,3-5,8-9,12H2,1-2H3,(H,21,24)
InChIKeyRVEBAQRZOZIZOL-UHFFFAOYSA-N
XLogP2.69
TPSA125.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4,6-dimethyl-3-[(2-nitro-4-piperidin-1-ylsulfonylanilino)methyl]-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-2-nitro-4-piperidin-1-ylsulfonylaniline
CID 3648122
N-(2-methylpropyl)-2-nitro-4-piperidin-1-ylsulfonylaniline
CID 9281950
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-nitro-4-piperidin-1-ylsulfonylaniline
CID 133271890
4-(azepan-1-ylsulfonyl)-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-nitroaniline
CID 133342106
4-(azepan-1-ylsulfonyl)-N-[(3-methoxyphenyl)methyl]-2-nitroaniline
CID 9111209
(2-nitro-4-piperidin-1-ylsulfonylphenyl)hydrazine
CID 16775038
4-(azepan-1-ylsulfonyl)-N-[(2-methoxy-3-pyridinyl)methyl]-2-nitroaniline
CID 46576642
N-(2-nitro-4-piperidin-1-ylsulfonylphenyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 26441981
N-(2-nitro-4-piperidin-1-ylsulfonylphenyl)acetamide
CID 14226695
4-(azepan-1-ylsulfonyl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-nitroaniline
CID 39008788
N-(2-nitro-4-piperidin-1-ylsulfonylphenyl)piperidin-1-amine
CID 9311427
N-[(2-methoxy-4-pyridinyl)methyl]-2-nitro-4-piperidin-1-ylsulfonylaniline
CID 24632050

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-3-[(2-nitro-4-piperidin-1-ylsulfonylanilino)methyl]-1H-pyridin-2-one?
The IUPAC name of 4,6-dimethyl-3-[(2-nitro-4-piperidin-1-ylsulfonylanilino)methyl]-1H-pyridin-2-one (CID 18095821) is 4,6-dimethyl-3-[(2-nitro-4-piperidin-1-ylsulfonylanilino)methyl]-1H-pyridin-2-one.
What is the SMILES notation for 4,6-dimethyl-3-[(2-nitro-4-piperidin-1-ylsulfonylanilino)methyl]-1H-pyridin-2-one?
The canonical SMILES for 4,6-dimethyl-3-[(2-nitro-4-piperidin-1-ylsulfonylanilino)methyl]-1H-pyridin-2-one is Cc1cc(C)c(CNc2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])c(=O)[nH]1.
What is the InChIKey of 4,6-dimethyl-3-[(2-nitro-4-piperidin-1-ylsulfonylanilino)methyl]-1H-pyridin-2-one?
The InChIKey is RVEBAQRZOZIZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O5S/c1-13-10-14(2)21-19(24)16(13)12-20-17-7-6-15(11-18(17)23(25)26)29(27,28)22-8-4-3-5-9-22/h6-7,10-11,20H,3-5,8-9,12H2,1-2H3,(H,21,24).
What are the key properties of 4,6-dimethyl-3-[(2-nitro-4-piperidin-1-ylsulfonylanilino)methyl]-1H-pyridin-2-one?
4,6-dimethyl-3-[(2-nitro-4-piperidin-1-ylsulfonylanilino)methyl]-1H-pyridin-2-one has a molecular weight of 420.49 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-3-[(2-nitro-4-piperidin-1-ylsulfonylanilino)methyl]-1H-pyridin-2-one is sourced from PubChem (CID 18095821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).