N-(3-aminophenyl)pyridine-4-carboxamide;carbanide;N-[3-[[(2S)-2-(3,4-dichlorophenoxy)propanoyl]amino]phenyl]pyridine-4-carboxamide;ethane;methane;3-nitroaniline;N-(3-nitrophenyl)pyridine-4-carboxamide;palladium

C58H68Cl2N11O9Pd- — CID 158195814

IUPACN-(3-aminophenyl)pyridine-4-carboxamide;carbanide;N-[3-[[(2S)-2-(3,4-dichlorophenoxy)propanoyl]amino]phenyl]pyridine-4-carboxamide;ethane;methane;3-nitroaniline;N-(3-nitrophenyl)pyridine-4-carboxamide;palladium
SMILESC.C.C.C.CC.C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc(NC(=O)c2ccncc2)c1.Nc1cccc(NC(=O)c2ccncc2)c1.Nc1cccc([N+](=O)[O-])c1.O=C(Nc1cccc([N+](=O)[O-])c1)c1ccncc1.[CH3-].[Pd]
InChIInChI=1S/C21H17Cl2N3O3.C12H9N3O3.C12H11N3O.C6H6N2O2.C2H6.4CH4.CH3.Pd/c1-13(29-17-5-6-18(22)19(23)12-17)20(27)25-15-3-2-4-16(11-15)26-21(28)14-7-9-24-10-8-14;16-12(9-4-6-13-7-5-9)14-10-2-1-3-11(8-10)15(17)18;13-10-2-1-3-11(8-10)15-12(16)9-4-6-14-7-5-9;7-5-2-1-3-6(4-5)8(9)10;1-2;;;;;;/h2-13H,1H3,(H,25,27)(H,26,28);1-8H,(H,14,16);1-8H,13H2,(H,15,16);1-4H,7H2;1-2H3;4*1H4;1H3;/q;;;;;;;;;-1;/t13-;;;;;;;;;;/m0........../s1
InChIKeyLWHSZTQGEWTYRJ-DHORPFTOSA-N
MW1240.58 g/mol
LogP14.40
Rot. Bonds12

About N-(3-aminophenyl)pyridine-4-carboxamide;carbanide;N-[3-[[(2S)-2-(3,4-dichlorophenoxy)propanoyl]amino]phenyl]pyridine-4-carboxamide;ethane;methane;3-nitroaniline;N-(3-nitrophenyl)pyridine-4-carboxamide;palladium

N-(3-aminophenyl)pyridine-4-carboxamide;carbanide;N-[3-[[(2S)-2-(3,4-dichlorophenoxy)propanoyl]amino]phenyl]pyridine-4-carboxamide;ethane;methane;3-nitroaniline;N-(3-nitrophenyl)pyridine-4-carboxamide;palladium (PubChem CID 158195814) has the molecular formula C58H68Cl2N11O9Pd- and a molecular weight of 1240.58 g/mol. Its IUPAC name is N-(3-aminophenyl)pyridine-4-carboxamide;carbanide;N-[3-[[(2S)-2-(3,4-dichlorophenoxy)propanoyl]amino]phenyl]pyridine-4-carboxamide;ethane;methane;3-nitroaniline;N-(3-nitrophenyl)pyridine-4-carboxamide;palladium.

Molecular Properties

Compound NameN-(3-aminophenyl)pyridine-4-carboxamide;carbanide;N-[3-[[(2S)-2-(3,4-dichlorophenoxy)propanoyl]amino]phenyl]pyridine-4-carboxamide;ethane;methane;3-nitroaniline;N-(3-nitrophenyl)pyridine-4-carboxamide;palladium
PubChem CID158195814
Molecular FormulaC58H68Cl2N11O9Pd-
Molecular Weight1240.58 g/mol
Exact Mass1238.36
IUPAC NameN-(3-aminophenyl)pyridine-4-carboxamide;carbanide;N-[3-[[(2S)-2-(3,4-dichlorophenoxy)propanoyl]amino]phenyl]pyridine-4-carboxamide;ethane;methane;3-nitroaniline;N-(3-nitrophenyl)pyridine-4-carboxamide;palladium
SMILESC.C.C.C.CC.C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc(NC(=O)c2ccncc2)c1.Nc1cccc(NC(=O)c2ccncc2)c1.Nc1cccc([N+](=O)[O-])c1.O=C(Nc1cccc([N+](=O)[O-])c1)c1ccncc1.[CH3-].[Pd]
InChIInChI=1S/C21H17Cl2N3O3.C12H9N3O3.C12H11N3O.C6H6N2O2.C2H6.4CH4.CH3.Pd/c1-13(29-17-5-6-18(22)19(23)12-17)20(27)25-15-3-2-4-16(11-15)26-21(28)14-7-9-24-10-8-14;16-12(9-4-6-13-7-5-9)14-10-2-1-3-11(8-10)15(17)18;13-10-2-1-3-11(8-10)15-12(16)9-4-6-14-7-5-9;7-5-2-1-3-6(4-5)8(9)10;1-2;;;;;;/h2-13H,1H3,(H,25,27)(H,26,28);1-8H,(H,14,16);1-8H,13H2,(H,15,16);1-4H,7H2;1-2H3;4*1H4;1H3;/q;;;;;;;;;-1;/t13-;;;;;;;;;;/m0........../s1
InChIKeyLWHSZTQGEWTYRJ-DHORPFTOSA-N
XLogP14.40
TPSA302.62 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms81
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001240.58
LogP ≤ 514.40
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze N-(3-aminophenyl)pyridine-4-carboxamide;carbanide;N-[3-[[(2S)-2-(3,4-dichlorophenoxy)propanoyl]amino]phenyl]pyridine-4-carboxamide;ethane;methane;3-nitroaniline;N-(3-nitrophenyl)pyridine-4-carboxamide;palladium with MolForge

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Related Compounds

2-(3,4-dichlorophenoxy)-N-(3-nitrophenyl)propanamide
CID 13052549
N-[3-[2-(3-chlorophenoxy)propanoylamino]phenyl]pyridine-4-carboxamide
CID 55610413
[(2S)-1-(3-nitroanilino)-1-oxopropan-2-yl] 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 29155077
(2S)-2-(2-chlorophenoxy)-N-(3-nitrophenyl)propanamide
CID 2631902
2-(2,3-dichlorophenoxy)-N-(3-nitrophenyl)propanamide
CID 42990450
(2S)-2-(3-methoxyphenoxy)-N-(3-nitrophenyl)propanamide
CID 30377777
2-methyl-N-[3-[2-(4-nitrophenoxy)propanoylamino]phenyl]propanamide
CID 17189238
N-(3-methylphenyl)-3-[2-(4-nitrophenoxy)propanoylamino]benzamide
CID 43877491
4-[[(2S)-2-(3-nitrophenoxy)propanoyl]amino]benzamide
CID 7865285
N-[3-(3-nitrophenyl)phenyl]pyridine-4-carboxamide
CID 110444896
N-[4-[(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]-3-nitrobenzamide
CID 41065885
N-[3-[1-(4-methylphenyl)-1-oxopropan-2-yl]oxyphenyl]-3-nitrobenzamide
CID 3888570

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)pyridine-4-carboxamide;carbanide;N-[3-[[(2S)-2-(3,4-dichlorophenoxy)propanoyl]amino]phenyl]pyridine-4-carboxamide;ethane;methane;3-nitroaniline;N-(3-nitrophenyl)pyridine-4-carboxamide;palladium?
The IUPAC name of N-(3-aminophenyl)pyridine-4-carboxamide;carbanide;N-[3-[[(2S)-2-(3,4-dichlorophenoxy)propanoyl]amino]phenyl]pyridine-4-carboxamide;ethane;methane;3-nitroaniline;N-(3-nitrophenyl)pyridine-4-carboxamide;palladium (CID 158195814) is N-(3-aminophenyl)pyridine-4-carboxamide;carbanide;N-[3-[[(2S)-2-(3,4-dichlorophenoxy)propanoyl]amino]phenyl]pyridine-4-carboxamide;ethane;methane;3-nitroaniline;N-(3-nitrophenyl)pyridine-4-carboxamide;palladium.
What is the SMILES notation for N-(3-aminophenyl)pyridine-4-carboxamide;carbanide;N-[3-[[(2S)-2-(3,4-dichlorophenoxy)propanoyl]amino]phenyl]pyridine-4-carboxamide;ethane;methane;3-nitroaniline;N-(3-nitrophenyl)pyridine-4-carboxamide;palladium?
The canonical SMILES for N-(3-aminophenyl)pyridine-4-carboxamide;carbanide;N-[3-[[(2S)-2-(3,4-dichlorophenoxy)propanoyl]amino]phenyl]pyridine-4-carboxamide;ethane;methane;3-nitroaniline;N-(3-nitrophenyl)pyridine-4-carboxamide;palladium is C.C.C.C.CC.C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc(NC(=O)c2ccncc2)c1.Nc1cccc(NC(=O)c2ccncc2)c1.Nc1cccc([N+](=O)[O-])c1.O=C(Nc1cccc([N+](=O)[O-])c1)c1ccncc1.[CH3-].[Pd].
What is the InChIKey of N-(3-aminophenyl)pyridine-4-carboxamide;carbanide;N-[3-[[(2S)-2-(3,4-dichlorophenoxy)propanoyl]amino]phenyl]pyridine-4-carboxamide;ethane;methane;3-nitroaniline;N-(3-nitrophenyl)pyridine-4-carboxamide;palladium?
The InChIKey is LWHSZTQGEWTYRJ-DHORPFTOSA-N. The full InChI is InChI=1S/C21H17Cl2N3O3.C12H9N3O3.C12H11N3O.C6H6N2O2.C2H6.4CH4.CH3.Pd/c1-13(29-17-5-6-18(22)19(23)12-17)20(27)25-15-3-2-4-16(11-15)26-21(28)14-7-9-24-10-8-14;16-12(9-4-6-13-7-5-9)14-10-2-1-3-11(8-10)15(17)18;13-10-2-1-3-11(8-10)15-12(16)9-4-6-14-7-5-9;7-5-2-1-3-6(4-5)8(9)10;1-2;;;;;;/h2-13H,1H3,(H,25,27)(H,26,28);1-8H,(H,14,16);1-8H,13H2,(H,15,16);1-4H,7H2;1-2H3;4*1H4;1H3;/q;;;;;;;;;-1;/t13-;;;;;;;;;;/m0........../s1.
What are the key properties of N-(3-aminophenyl)pyridine-4-carboxamide;carbanide;N-[3-[[(2S)-2-(3,4-dichlorophenoxy)propanoyl]amino]phenyl]pyridine-4-carboxamide;ethane;methane;3-nitroaniline;N-(3-nitrophenyl)pyridine-4-carboxamide;palladium?
N-(3-aminophenyl)pyridine-4-carboxamide;carbanide;N-[3-[[(2S)-2-(3,4-dichlorophenoxy)propanoyl]amino]phenyl]pyridine-4-carboxamide;ethane;methane;3-nitroaniline;N-(3-nitrophenyl)pyridine-4-carboxamide;palladium has a molecular weight of 1240.58 g/mol, XLogP of 14.40, 12 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)pyridine-4-carboxamide;carbanide;N-[3-[[(2S)-2-(3,4-dichlorophenoxy)propanoyl]amino]phenyl]pyridine-4-carboxamide;ethane;methane;3-nitroaniline;N-(3-nitrophenyl)pyridine-4-carboxamide;palladium is sourced from PubChem (CID 158195814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).