2,6-dimethyl-4-(4-nitrophenyl)-3-N,5-N-bis(1,3-thiazol-2-yl)-1,4-dihydropyridine-3,5-dicarboxamide

C21H18N6O4S2 — CID 72697999

IUPAC2,6-dimethyl-4-(4-nitrophenyl)-3-N,5-N-bis(1,3-thiazol-2-yl)-1,4-dihydropyridine-3,5-dicarboxamide
SMILESCC1=C(C(=O)Nc2nccs2)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)Nc2nccs2)=C(C)N1
InChIInChI=1S/C21H18N6O4S2/c1-11-15(18(28)25-20-22-7-9-32-20)17(13-3-5-14(6-4-13)27(30)31)16(12(2)24-11)19(29)26-21-23-8-10-33-21/h3-10,17,24H,1-2H3,(H,22,25,28)(H,23,26,29)
InChIKeyGUCZBIRDNYVRJZ-UHFFFAOYSA-N
MW482.55 g/mol
LogP4.02
Rot. Bonds6

About 2,6-dimethyl-4-(4-nitrophenyl)-3-N,5-N-bis(1,3-thiazol-2-yl)-1,4-dihydropyridine-3,5-dicarboxamide

2,6-dimethyl-4-(4-nitrophenyl)-3-N,5-N-bis(1,3-thiazol-2-yl)-1,4-dihydropyridine-3,5-dicarboxamide (PubChem CID 72697999) has the molecular formula C21H18N6O4S2 and a molecular weight of 482.55 g/mol. Its IUPAC name is 2,6-dimethyl-4-(4-nitrophenyl)-3-N,5-N-bis(1,3-thiazol-2-yl)-1,4-dihydropyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name2,6-dimethyl-4-(4-nitrophenyl)-3-N,5-N-bis(1,3-thiazol-2-yl)-1,4-dihydropyridine-3,5-dicarboxamide
PubChem CID72697999
Molecular FormulaC21H18N6O4S2
Molecular Weight482.55 g/mol
Exact Mass482.08
IUPAC Name2,6-dimethyl-4-(4-nitrophenyl)-3-N,5-N-bis(1,3-thiazol-2-yl)-1,4-dihydropyridine-3,5-dicarboxamide
SMILESCC1=C(C(=O)Nc2nccs2)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)Nc2nccs2)=C(C)N1
InChIInChI=1S/C21H18N6O4S2/c1-11-15(18(28)25-20-22-7-9-32-20)17(13-3-5-14(6-4-13)27(30)31)16(12(2)24-11)19(29)26-21-23-8-10-33-21/h3-10,17,24H,1-2H3,(H,22,25,28)(H,23,26,29)
InChIKeyGUCZBIRDNYVRJZ-UHFFFAOYSA-N
XLogP4.02
TPSA139.15 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.55
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2,6-dimethyl-4-(4-nitrophenyl)-3-N,5-N-bis(1,3-thiazol-2-yl)-1,4-dihydropyridine-3,5-dicarboxamide 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

3-methyl-5-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)furan-2-carboxamide
CID 16649035
2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide
CID 4111258
3,5-dinitro-N-(1,3-thiazol-2-yl)benzamide;hydrate
CID 139080774
4-methyl-3-[(4-nitrobenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide
CID 22636158
methyl 5-acetyl-2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
CID 10640153
2-[(4-nitrophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361114
2-methyl-3-nitro-N-(1,3-thiazol-2-yl)benzamide;hydrobromide
CID 162319898
4-nitro-2-propoxy-N-(1,3-thiazol-2-yl)benzamide
CID 86046963
(4S)-N-(1,3-benzothiazol-2-yl)-2-methyl-4-(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 92848336
2-chloro-N-(1,3-thiazol-2-yl)acetamide;nitrobenzene
CID 174506576
(4R)-2,7,7-trimethyl-N-(4-methyl-2-pyridinyl)-4-(4-nitrophenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide
CID 92848339
(E)-3-(4-nitrophenyl)-N-(1,3-thiazol-2-ylcarbamothioyl)prop-2-enamide
CID 17187147

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(4-nitrophenyl)-3-N,5-N-bis(1,3-thiazol-2-yl)-1,4-dihydropyridine-3,5-dicarboxamide?
The IUPAC name of 2,6-dimethyl-4-(4-nitrophenyl)-3-N,5-N-bis(1,3-thiazol-2-yl)-1,4-dihydropyridine-3,5-dicarboxamide (CID 72697999) is 2,6-dimethyl-4-(4-nitrophenyl)-3-N,5-N-bis(1,3-thiazol-2-yl)-1,4-dihydropyridine-3,5-dicarboxamide.
What is the SMILES notation for 2,6-dimethyl-4-(4-nitrophenyl)-3-N,5-N-bis(1,3-thiazol-2-yl)-1,4-dihydropyridine-3,5-dicarboxamide?
The canonical SMILES for 2,6-dimethyl-4-(4-nitrophenyl)-3-N,5-N-bis(1,3-thiazol-2-yl)-1,4-dihydropyridine-3,5-dicarboxamide is CC1=C(C(=O)Nc2nccs2)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)Nc2nccs2)=C(C)N1.
What is the InChIKey of 2,6-dimethyl-4-(4-nitrophenyl)-3-N,5-N-bis(1,3-thiazol-2-yl)-1,4-dihydropyridine-3,5-dicarboxamide?
The InChIKey is GUCZBIRDNYVRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O4S2/c1-11-15(18(28)25-20-22-7-9-32-20)17(13-3-5-14(6-4-13)27(30)31)16(12(2)24-11)19(29)26-21-23-8-10-33-21/h3-10,17,24H,1-2H3,(H,22,25,28)(H,23,26,29).
What are the key properties of 2,6-dimethyl-4-(4-nitrophenyl)-3-N,5-N-bis(1,3-thiazol-2-yl)-1,4-dihydropyridine-3,5-dicarboxamide?
2,6-dimethyl-4-(4-nitrophenyl)-3-N,5-N-bis(1,3-thiazol-2-yl)-1,4-dihydropyridine-3,5-dicarboxamide has a molecular weight of 482.55 g/mol, XLogP of 4.02, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(4-nitrophenyl)-3-N,5-N-bis(1,3-thiazol-2-yl)-1,4-dihydropyridine-3,5-dicarboxamide is sourced from PubChem (CID 72697999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).