2-methoxy-5-phenylaniline;4-[4-[(2-methoxy-5-phenylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide

C40H37N5O5 — CID 162196336

IUPAC2-methoxy-5-phenylaniline;4-[4-[(2-methoxy-5-phenylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(-c4ccccc4)ccc3OC)cc2)ccn1.COc1ccc(-c2ccccc2)cc1N
InChIInChI=1S/C27H24N4O4.C13H13NO/c1-28-26(32)24-17-22(14-15-29-24)35-21-11-9-20(10-12-21)30-27(33)31-23-16-19(8-13-25(23)34-2)18-6-4-3-5-7-18;1-15-13-8-7-11(9-12(13)14)10-5-3-2-4-6-10/h3-17H,1-2H3,(H,28,32)(H2,30,31,33);2-9H,14H2,1H3
InChIKeyZQZHTPGFJQTABE-UHFFFAOYSA-N
MW667.77 g/mol
LogP8.50
Rot. Bonds9

About 2-methoxy-5-phenylaniline;4-[4-[(2-methoxy-5-phenylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide

2-methoxy-5-phenylaniline;4-[4-[(2-methoxy-5-phenylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide (PubChem CID 162196336) has the molecular formula C40H37N5O5 and a molecular weight of 667.77 g/mol. Its IUPAC name is 2-methoxy-5-phenylaniline;4-[4-[(2-methoxy-5-phenylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name2-methoxy-5-phenylaniline;4-[4-[(2-methoxy-5-phenylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
PubChem CID162196336
Molecular FormulaC40H37N5O5
Molecular Weight667.77 g/mol
Exact Mass667.28
IUPAC Name2-methoxy-5-phenylaniline;4-[4-[(2-methoxy-5-phenylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(-c4ccccc4)ccc3OC)cc2)ccn1.COc1ccc(-c2ccccc2)cc1N
InChIInChI=1S/C27H24N4O4.C13H13NO/c1-28-26(32)24-17-22(14-15-29-24)35-21-11-9-20(10-12-21)30-27(33)31-23-16-19(8-13-25(23)34-2)18-6-4-3-5-7-18;1-15-13-8-7-11(9-12(13)14)10-5-3-2-4-6-10/h3-17H,1-2H3,(H,28,32)(H2,30,31,33);2-9H,14H2,1H3
InChIKeyZQZHTPGFJQTABE-UHFFFAOYSA-N
XLogP8.50
TPSA136.83 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.77
LogP ≤ 58.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-methoxyphenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]oxamide
CID 11339157
N-methyl-4-[4-[(2-methylphenyl)carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 56931255
4-[4-[2-[(5-chloro-2-methoxyphenyl)carbamoyl]hydrazinyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 11224505
4-[4-[(5-bromo-2-methoxyphenyl)carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 51354511
4-(4-chlorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]pyridine-2-carboxamide
CID 141417735
4-[4-[(3-fluorophenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 131953290
4-[4-[(3-chlorophenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 118002051
N-methyl-4-[4-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 11947961
4-[4-[[2-hydroxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 58919812
4-[4-[(2-fluoro-5-iodophenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 138743251
N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate
CID 86648443
4-[4-[[2-(2-aminoethoxy)-4-(iodomethyl)-5-methylphenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 89346413

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-phenylaniline;4-[4-[(2-methoxy-5-phenylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 2-methoxy-5-phenylaniline;4-[4-[(2-methoxy-5-phenylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide (CID 162196336) is 2-methoxy-5-phenylaniline;4-[4-[(2-methoxy-5-phenylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 2-methoxy-5-phenylaniline;4-[4-[(2-methoxy-5-phenylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 2-methoxy-5-phenylaniline;4-[4-[(2-methoxy-5-phenylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(-c4ccccc4)ccc3OC)cc2)ccn1.COc1ccc(-c2ccccc2)cc1N.
What is the InChIKey of 2-methoxy-5-phenylaniline;4-[4-[(2-methoxy-5-phenylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide?
The InChIKey is ZQZHTPGFJQTABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O4.C13H13NO/c1-28-26(32)24-17-22(14-15-29-24)35-21-11-9-20(10-12-21)30-27(33)31-23-16-19(8-13-25(23)34-2)18-6-4-3-5-7-18;1-15-13-8-7-11(9-12(13)14)10-5-3-2-4-6-10/h3-17H,1-2H3,(H,28,32)(H2,30,31,33);2-9H,14H2,1H3.
What are the key properties of 2-methoxy-5-phenylaniline;4-[4-[(2-methoxy-5-phenylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide?
2-methoxy-5-phenylaniline;4-[4-[(2-methoxy-5-phenylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide has a molecular weight of 667.77 g/mol, XLogP of 8.50, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-phenylaniline;4-[4-[(2-methoxy-5-phenylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 162196336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).