4-(3-aminophenoxy)-N-methylpyridine-2-carboxamide;4-chloro-N-methylpyridine-2-carboxamide;methyl 4-chloropyridine-2-carboxylate;N-methyl-4-[3-[(3,4,5-triethoxybenzoyl)amino]phenoxy]pyridine-2-carboxamide;hydrochloride

C53H56Cl3N9O11 — CID 159309729

IUPAC4-(3-aminophenoxy)-N-methylpyridine-2-carboxamide;4-chloro-N-methylpyridine-2-carboxamide;methyl 4-chloropyridine-2-carboxylate;N-methyl-4-[3-[(3,4,5-triethoxybenzoyl)amino]phenoxy]pyridine-2-carboxamide;hydrochloride
SMILESCCOc1cc(C(=O)Nc2cccc(Oc3ccnc(C(=O)NC)c3)c2)cc(OCC)c1OCC.CNC(=O)c1cc(Cl)ccn1.CNC(=O)c1cc(Oc2cccc(N)c2)ccn1.COC(=O)c1cc(Cl)ccn1.Cl
InChIInChI=1S/C26H29N3O6.C13H13N3O2.C7H7ClN2O.C7H6ClNO2.ClH/c1-5-32-22-13-17(14-23(33-6-2)24(22)34-7-3)25(30)29-18-9-8-10-19(15-18)35-20-11-12-28-21(16-20)26(31)27-4;1-15-13(17)12-8-11(5-6-16-12)18-10-4-2-3-9(14)7-10;1-9-7(11)6-4-5(8)2-3-10-6;1-11-7(10)6-4-5(8)2-3-9-6;/h8-16H,5-7H2,1-4H3,(H,27,31)(H,29,30);2-8H,14H2,1H3,(H,15,17);2-4H,1H3,(H,9,11);2-4H,1H3;1H
InChIKeyOINNKUDLRDDROX-UHFFFAOYSA-N
MW1101.44 g/mol
LogP9.54
Rot. Bonds16

About 4-(3-aminophenoxy)-N-methylpyridine-2-carboxamide;4-chloro-N-methylpyridine-2-carboxamide;methyl 4-chloropyridine-2-carboxylate;N-methyl-4-[3-[(3,4,5-triethoxybenzoyl)amino]phenoxy]pyridine-2-carboxamide;hydrochloride

4-(3-aminophenoxy)-N-methylpyridine-2-carboxamide;4-chloro-N-methylpyridine-2-carboxamide;methyl 4-chloropyridine-2-carboxylate;N-methyl-4-[3-[(3,4,5-triethoxybenzoyl)amino]phenoxy]pyridine-2-carboxamide;hydrochloride (PubChem CID 159309729) has the molecular formula C53H56Cl3N9O11 and a molecular weight of 1101.44 g/mol. Its IUPAC name is 4-(3-aminophenoxy)-N-methylpyridine-2-carboxamide;4-chloro-N-methylpyridine-2-carboxamide;methyl 4-chloropyridine-2-carboxylate;N-methyl-4-[3-[(3,4,5-triethoxybenzoyl)amino]phenoxy]pyridine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(3-aminophenoxy)-N-methylpyridine-2-carboxamide;4-chloro-N-methylpyridine-2-carboxamide;methyl 4-chloropyridine-2-carboxylate;N-methyl-4-[3-[(3,4,5-triethoxybenzoyl)amino]phenoxy]pyridine-2-carboxamide;hydrochloride
PubChem CID159309729
Molecular FormulaC53H56Cl3N9O11
Molecular Weight1101.44 g/mol
Exact Mass1099.32
IUPAC Name4-(3-aminophenoxy)-N-methylpyridine-2-carboxamide;4-chloro-N-methylpyridine-2-carboxamide;methyl 4-chloropyridine-2-carboxylate;N-methyl-4-[3-[(3,4,5-triethoxybenzoyl)amino]phenoxy]pyridine-2-carboxamide;hydrochloride
SMILESCCOc1cc(C(=O)Nc2cccc(Oc3ccnc(C(=O)NC)c3)c2)cc(OCC)c1OCC.CNC(=O)c1cc(Cl)ccn1.CNC(=O)c1cc(Oc2cccc(N)c2)ccn1.COC(=O)c1cc(Cl)ccn1.Cl
InChIInChI=1S/C26H29N3O6.C13H13N3O2.C7H7ClN2O.C7H6ClNO2.ClH/c1-5-32-22-13-17(14-23(33-6-2)24(22)34-7-3)25(30)29-18-9-8-10-19(15-18)35-20-11-12-28-21(16-20)26(31)27-4;1-15-13(17)12-8-11(5-6-16-12)18-10-4-2-3-9(14)7-10;1-9-7(11)6-4-5(8)2-3-10-6;1-11-7(10)6-4-5(8)2-3-9-6;/h8-16H,5-7H2,1-4H3,(H,27,31)(H,29,30);2-8H,14H2,1H3,(H,15,17);2-4H,1H3,(H,9,11);2-4H,1H3;1H
InChIKeyOINNKUDLRDDROX-UHFFFAOYSA-N
XLogP9.54
TPSA266.43 Ų
H-Bond Donors5
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001101.44
LogP ≤ 59.54
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 4-(3-aminophenoxy)-N-methylpyridine-2-carboxamide;4-chloro-N-methylpyridine-2-carboxamide;methyl 4-chloropyridine-2-carboxylate;N-methyl-4-[3-[(3,4,5-triethoxybenzoyl)amino]phenoxy]pyridine-2-carboxamide;hydrochloride with MolForge

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Related Compounds

4-(4-aminophenoxy)-N-methylpyridine-2-carboxamide;methyl 4-(4-aminophenoxy)pyridine-2-carboxylate
CID 162090161
4-chloro-N'-(3,4,5-triethoxybenzoyl)pyridine-2-carbohydrazide
CID 34976901
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
N'-(3,4-dichlorophenyl)-N-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]propanediamide
CID 58968827
4-chloro-N-[3-(2-methoxyethoxy)phenyl]pyridine-2-carboxamide
CID 61041653
3,4,5-triethoxy-N-[3-[(3,4,5-triethoxybenzoyl)amino]phenyl]benzamide
CID 5007008
3,4,5-triethoxy-N-[3-[[2-(1,3,4-oxadiazol-2-yl)-4-pyridinyl]oxy]phenyl]benzamide
CID 23649282
4-[3-[(5-chloro-2-methoxyphenyl)carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 11429828
4-[4-[(3-chlorophenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 118002051
ethyl 3-[[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamothioylamino]benzoate
CID 46843010
N'-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-N-[4-(trifluoromethyl)phenyl]propanediamide
CID 58968812
4-amino-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 55041968

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminophenoxy)-N-methylpyridine-2-carboxamide;4-chloro-N-methylpyridine-2-carboxamide;methyl 4-chloropyridine-2-carboxylate;N-methyl-4-[3-[(3,4,5-triethoxybenzoyl)amino]phenoxy]pyridine-2-carboxamide;hydrochloride?
The IUPAC name of 4-(3-aminophenoxy)-N-methylpyridine-2-carboxamide;4-chloro-N-methylpyridine-2-carboxamide;methyl 4-chloropyridine-2-carboxylate;N-methyl-4-[3-[(3,4,5-triethoxybenzoyl)amino]phenoxy]pyridine-2-carboxamide;hydrochloride (CID 159309729) is 4-(3-aminophenoxy)-N-methylpyridine-2-carboxamide;4-chloro-N-methylpyridine-2-carboxamide;methyl 4-chloropyridine-2-carboxylate;N-methyl-4-[3-[(3,4,5-triethoxybenzoyl)amino]phenoxy]pyridine-2-carboxamide;hydrochloride.
What is the SMILES notation for 4-(3-aminophenoxy)-N-methylpyridine-2-carboxamide;4-chloro-N-methylpyridine-2-carboxamide;methyl 4-chloropyridine-2-carboxylate;N-methyl-4-[3-[(3,4,5-triethoxybenzoyl)amino]phenoxy]pyridine-2-carboxamide;hydrochloride?
The canonical SMILES for 4-(3-aminophenoxy)-N-methylpyridine-2-carboxamide;4-chloro-N-methylpyridine-2-carboxamide;methyl 4-chloropyridine-2-carboxylate;N-methyl-4-[3-[(3,4,5-triethoxybenzoyl)amino]phenoxy]pyridine-2-carboxamide;hydrochloride is CCOc1cc(C(=O)Nc2cccc(Oc3ccnc(C(=O)NC)c3)c2)cc(OCC)c1OCC.CNC(=O)c1cc(Cl)ccn1.CNC(=O)c1cc(Oc2cccc(N)c2)ccn1.COC(=O)c1cc(Cl)ccn1.Cl.
What is the InChIKey of 4-(3-aminophenoxy)-N-methylpyridine-2-carboxamide;4-chloro-N-methylpyridine-2-carboxamide;methyl 4-chloropyridine-2-carboxylate;N-methyl-4-[3-[(3,4,5-triethoxybenzoyl)amino]phenoxy]pyridine-2-carboxamide;hydrochloride?
The InChIKey is OINNKUDLRDDROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O6.C13H13N3O2.C7H7ClN2O.C7H6ClNO2.ClH/c1-5-32-22-13-17(14-23(33-6-2)24(22)34-7-3)25(30)29-18-9-8-10-19(15-18)35-20-11-12-28-21(16-20)26(31)27-4;1-15-13(17)12-8-11(5-6-16-12)18-10-4-2-3-9(14)7-10;1-9-7(11)6-4-5(8)2-3-10-6;1-11-7(10)6-4-5(8)2-3-9-6;/h8-16H,5-7H2,1-4H3,(H,27,31)(H,29,30);2-8H,14H2,1H3,(H,15,17);2-4H,1H3,(H,9,11);2-4H,1H3;1H.
What are the key properties of 4-(3-aminophenoxy)-N-methylpyridine-2-carboxamide;4-chloro-N-methylpyridine-2-carboxamide;methyl 4-chloropyridine-2-carboxylate;N-methyl-4-[3-[(3,4,5-triethoxybenzoyl)amino]phenoxy]pyridine-2-carboxamide;hydrochloride?
4-(3-aminophenoxy)-N-methylpyridine-2-carboxamide;4-chloro-N-methylpyridine-2-carboxamide;methyl 4-chloropyridine-2-carboxylate;N-methyl-4-[3-[(3,4,5-triethoxybenzoyl)amino]phenoxy]pyridine-2-carboxamide;hydrochloride has a molecular weight of 1101.44 g/mol, XLogP of 9.54, 16 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminophenoxy)-N-methylpyridine-2-carboxamide;4-chloro-N-methylpyridine-2-carboxamide;methyl 4-chloropyridine-2-carboxylate;N-methyl-4-[3-[(3,4,5-triethoxybenzoyl)amino]phenoxy]pyridine-2-carboxamide;hydrochloride is sourced from PubChem (CID 159309729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).