4-(5-amino-2-methylphenoxy)-N-methylpyridine-2-carboxamide;4-chloro-N-methylpyridine-2-carboxamide;dichlorotin;4-(3-hydrazinyl-2,6-dimethylphenoxy)-N-methylpyridine-2-carboxamide;N-methyl-4-(2-methyl-5-nitrophenoxy)pyridine-2-carboxamide;2-methyl-5-nitrophenol

C57H60Cl3N13O12Sn — CID 158109343

IUPAC4-(5-amino-2-methylphenoxy)-N-methylpyridine-2-carboxamide;4-chloro-N-methylpyridine-2-carboxamide;dichlorotin;4-(3-hydrazinyl-2,6-dimethylphenoxy)-N-methylpyridine-2-carboxamide;N-methyl-4-(2-methyl-5-nitrophenoxy)pyridine-2-carboxamide;2-methyl-5-nitrophenol
SMILESCNC(=O)c1cc(Cl)ccn1.CNC(=O)c1cc(Oc2c(C)ccc(NN)c2C)ccn1.CNC(=O)c1cc(Oc2cc(N)ccc2C)ccn1.CNC(=O)c1cc(Oc2cc([N+](=O)[O-])ccc2C)ccn1.Cc1ccc([N+](=O)[O-])cc1O.Cl[Sn]Cl
InChIInChI=1S/C15H18N4O2.C14H13N3O4.C14H15N3O2.C7H7ClN2O.C7H7NO3.2ClH.Sn/c1-9-4-5-12(19-16)10(2)14(9)21-11-6-7-18-13(8-11)15(20)17-3;1-9-3-4-10(17(19)20)7-13(9)21-11-5-6-16-12(8-11)14(18)15-2;1-9-3-4-10(15)7-13(9)19-11-5-6-17-12(8-11)14(18)16-2;1-9-7(11)6-4-5(8)2-3-10-6;1-5-2-3-6(8(10)11)4-7(5)9;;;/h4-8,19H,16H2,1-3H3,(H,17,20);3-8H,1-2H3,(H,15,18);3-8H,15H2,1-2H3,(H,16,18);2-4H,1H3,(H,9,11);2-4,9H,1H3;2*1H;/q;;;;;;;+2/p-2
InChIKeyFQFRULVMDPUDOG-UHFFFAOYSA-L
MW1344.26 g/mol
LogP10.41
Rot. Bonds13

About 4-(5-amino-2-methylphenoxy)-N-methylpyridine-2-carboxamide;4-chloro-N-methylpyridine-2-carboxamide;dichlorotin;4-(3-hydrazinyl-2,6-dimethylphenoxy)-N-methylpyridine-2-carboxamide;N-methyl-4-(2-methyl-5-nitrophenoxy)pyridine-2-carboxamide;2-methyl-5-nitrophenol

4-(5-amino-2-methylphenoxy)-N-methylpyridine-2-carboxamide;4-chloro-N-methylpyridine-2-carboxamide;dichlorotin;4-(3-hydrazinyl-2,6-dimethylphenoxy)-N-methylpyridine-2-carboxamide;N-methyl-4-(2-methyl-5-nitrophenoxy)pyridine-2-carboxamide;2-methyl-5-nitrophenol (PubChem CID 158109343) has the molecular formula C57H60Cl3N13O12Sn and a molecular weight of 1344.26 g/mol. Its IUPAC name is 4-(5-amino-2-methylphenoxy)-N-methylpyridine-2-carboxamide;4-chloro-N-methylpyridine-2-carboxamide;dichlorotin;4-(3-hydrazinyl-2,6-dimethylphenoxy)-N-methylpyridine-2-carboxamide;N-methyl-4-(2-methyl-5-nitrophenoxy)pyridine-2-carboxamide;2-methyl-5-nitrophenol.

Molecular Properties

Compound Name4-(5-amino-2-methylphenoxy)-N-methylpyridine-2-carboxamide;4-chloro-N-methylpyridine-2-carboxamide;dichlorotin;4-(3-hydrazinyl-2,6-dimethylphenoxy)-N-methylpyridine-2-carboxamide;N-methyl-4-(2-methyl-5-nitrophenoxy)pyridine-2-carboxamide;2-methyl-5-nitrophenol
PubChem CID158109343
Molecular FormulaC57H60Cl3N13O12Sn
Molecular Weight1344.26 g/mol
Exact Mass1343.26
IUPAC Name4-(5-amino-2-methylphenoxy)-N-methylpyridine-2-carboxamide;4-chloro-N-methylpyridine-2-carboxamide;dichlorotin;4-(3-hydrazinyl-2,6-dimethylphenoxy)-N-methylpyridine-2-carboxamide;N-methyl-4-(2-methyl-5-nitrophenoxy)pyridine-2-carboxamide;2-methyl-5-nitrophenol
SMILESCNC(=O)c1cc(Cl)ccn1.CNC(=O)c1cc(Oc2c(C)ccc(NN)c2C)ccn1.CNC(=O)c1cc(Oc2cc(N)ccc2C)ccn1.CNC(=O)c1cc(Oc2cc([N+](=O)[O-])ccc2C)ccn1.Cc1ccc([N+](=O)[O-])cc1O.Cl[Sn]Cl
InChIInChI=1S/C15H18N4O2.C14H13N3O4.C14H15N3O2.C7H7ClN2O.C7H7NO3.2ClH.Sn/c1-9-4-5-12(19-16)10(2)14(9)21-11-6-7-18-13(8-11)15(20)17-3;1-9-3-4-10(17(19)20)7-13(9)21-11-5-6-16-12(8-11)14(18)15-2;1-9-3-4-10(15)7-13(9)19-11-5-6-17-12(8-11)14(18)16-2;1-9-7(11)6-4-5(8)2-3-10-6;1-5-2-3-6(8(10)11)4-7(5)9;;;/h4-8,19H,16H2,1-3H3,(H,17,20);3-8H,1-2H3,(H,15,18);3-8H,15H2,1-2H3,(H,16,18);2-4H,1H3,(H,9,11);2-4,9H,1H3;2*1H;/q;;;;;;;+2/p-2
InChIKeyFQFRULVMDPUDOG-UHFFFAOYSA-L
XLogP10.41
TPSA366.23 Ų
H-Bond Donors8
H-Bond Acceptors19
Rotatable Bonds13
Heavy Atoms86
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001344.26
LogP ≤ 510.41
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 4-(5-amino-2-methylphenoxy)-N-methylpyridine-2-carboxamide;4-chloro-N-methylpyridine-2-carboxamide;dichlorotin;4-(3-hydrazinyl-2,6-dimethylphenoxy)-N-methylpyridine-2-carboxamide;N-methyl-4-(2-methyl-5-nitrophenoxy)pyridine-2-carboxamide;2-methyl-5-nitrophenol with MolForge

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Related Compounds

4-(3-aminophenoxy)-N-methylpyridine-2-carboxamide;4-chloro-N-methylpyridine-2-carboxamide;N-methyl-4-(3-nitrophenoxy)pyridine-2-carboxamide;3-nitrophenol
CID 161086113
4-(5-hydrazinyl-2-methylphenoxy)-N-methylpyridine-2-carboxamide
CID 86069287
methyl 4-(5-amino-2-methylphenoxy)pyridine-2-carboxylate
CID 66284886
4-amino-3-chlorophenol;4-(4-amino-3-chlorophenoxy)-N-methylpyridine-2-carboxamide;4-chloro-N-methylpyridine-2-carboxamide;methane
CID 159234569
4-hydrazinyl-N-(2-methyl-4-nitrophenyl)pyridine-2-carboxamide
CID 62247149
4-(4-amino-3-methylphenoxy)-N-methylpyridine-2-carboxamide;hydrochloride
CID 66746840
4-[5-[(1-aminocyclopropanecarbonyl)amino]-2-methylphenoxy]-N-methylpyridine-2-carboxamide
CID 119893205
[2-(2-methyl-4-nitroanilino)-2-oxoethyl] 4-chloropyridine-2-carboxylate
CID 8804293
4-[4-[[(3-hydroxy-4-methylbenzoyl)amino]carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 143062062
4-chloro-N-(3-hydroxy-4-methylphenyl)pyridine-2-carboxamide
CID 113290191
[3,5-dichloro-6-(2-methyl-5-nitrophenoxy)-2-pyridinyl]hydrazine
CID 102762949
N-methyl-4-[4-[5-(4-nitrophenyl)-1,4-dihydropyrazol-5-yl]phenoxy]pyridine-2-carboxamide
CID 141456081

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-2-methylphenoxy)-N-methylpyridine-2-carboxamide;4-chloro-N-methylpyridine-2-carboxamide;dichlorotin;4-(3-hydrazinyl-2,6-dimethylphenoxy)-N-methylpyridine-2-carboxamide;N-methyl-4-(2-methyl-5-nitrophenoxy)pyridine-2-carboxamide;2-methyl-5-nitrophenol?
The IUPAC name of 4-(5-amino-2-methylphenoxy)-N-methylpyridine-2-carboxamide;4-chloro-N-methylpyridine-2-carboxamide;dichlorotin;4-(3-hydrazinyl-2,6-dimethylphenoxy)-N-methylpyridine-2-carboxamide;N-methyl-4-(2-methyl-5-nitrophenoxy)pyridine-2-carboxamide;2-methyl-5-nitrophenol (CID 158109343) is 4-(5-amino-2-methylphenoxy)-N-methylpyridine-2-carboxamide;4-chloro-N-methylpyridine-2-carboxamide;dichlorotin;4-(3-hydrazinyl-2,6-dimethylphenoxy)-N-methylpyridine-2-carboxamide;N-methyl-4-(2-methyl-5-nitrophenoxy)pyridine-2-carboxamide;2-methyl-5-nitrophenol.
What is the SMILES notation for 4-(5-amino-2-methylphenoxy)-N-methylpyridine-2-carboxamide;4-chloro-N-methylpyridine-2-carboxamide;dichlorotin;4-(3-hydrazinyl-2,6-dimethylphenoxy)-N-methylpyridine-2-carboxamide;N-methyl-4-(2-methyl-5-nitrophenoxy)pyridine-2-carboxamide;2-methyl-5-nitrophenol?
The canonical SMILES for 4-(5-amino-2-methylphenoxy)-N-methylpyridine-2-carboxamide;4-chloro-N-methylpyridine-2-carboxamide;dichlorotin;4-(3-hydrazinyl-2,6-dimethylphenoxy)-N-methylpyridine-2-carboxamide;N-methyl-4-(2-methyl-5-nitrophenoxy)pyridine-2-carboxamide;2-methyl-5-nitrophenol is CNC(=O)c1cc(Cl)ccn1.CNC(=O)c1cc(Oc2c(C)ccc(NN)c2C)ccn1.CNC(=O)c1cc(Oc2cc(N)ccc2C)ccn1.CNC(=O)c1cc(Oc2cc([N+](=O)[O-])ccc2C)ccn1.Cc1ccc([N+](=O)[O-])cc1O.Cl[Sn]Cl.
What is the InChIKey of 4-(5-amino-2-methylphenoxy)-N-methylpyridine-2-carboxamide;4-chloro-N-methylpyridine-2-carboxamide;dichlorotin;4-(3-hydrazinyl-2,6-dimethylphenoxy)-N-methylpyridine-2-carboxamide;N-methyl-4-(2-methyl-5-nitrophenoxy)pyridine-2-carboxamide;2-methyl-5-nitrophenol?
The InChIKey is FQFRULVMDPUDOG-UHFFFAOYSA-L. The full InChI is InChI=1S/C15H18N4O2.C14H13N3O4.C14H15N3O2.C7H7ClN2O.C7H7NO3.2ClH.Sn/c1-9-4-5-12(19-16)10(2)14(9)21-11-6-7-18-13(8-11)15(20)17-3;1-9-3-4-10(17(19)20)7-13(9)21-11-5-6-16-12(8-11)14(18)15-2;1-9-3-4-10(15)7-13(9)19-11-5-6-17-12(8-11)14(18)16-2;1-9-7(11)6-4-5(8)2-3-10-6;1-5-2-3-6(8(10)11)4-7(5)9;;;/h4-8,19H,16H2,1-3H3,(H,17,20);3-8H,1-2H3,(H,15,18);3-8H,15H2,1-2H3,(H,16,18);2-4H,1H3,(H,9,11);2-4,9H,1H3;2*1H;/q;;;;;;;+2/p-2.
What are the key properties of 4-(5-amino-2-methylphenoxy)-N-methylpyridine-2-carboxamide;4-chloro-N-methylpyridine-2-carboxamide;dichlorotin;4-(3-hydrazinyl-2,6-dimethylphenoxy)-N-methylpyridine-2-carboxamide;N-methyl-4-(2-methyl-5-nitrophenoxy)pyridine-2-carboxamide;2-methyl-5-nitrophenol?
4-(5-amino-2-methylphenoxy)-N-methylpyridine-2-carboxamide;4-chloro-N-methylpyridine-2-carboxamide;dichlorotin;4-(3-hydrazinyl-2,6-dimethylphenoxy)-N-methylpyridine-2-carboxamide;N-methyl-4-(2-methyl-5-nitrophenoxy)pyridine-2-carboxamide;2-methyl-5-nitrophenol has a molecular weight of 1344.26 g/mol, XLogP of 10.41, 13 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-2-methylphenoxy)-N-methylpyridine-2-carboxamide;4-chloro-N-methylpyridine-2-carboxamide;dichlorotin;4-(3-hydrazinyl-2,6-dimethylphenoxy)-N-methylpyridine-2-carboxamide;N-methyl-4-(2-methyl-5-nitrophenoxy)pyridine-2-carboxamide;2-methyl-5-nitrophenol is sourced from PubChem (CID 158109343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).