N'-(2-methoxyphenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]oxamide

C22H20N4O5 — CID 11339157

IUPACN'-(2-methoxyphenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]oxamide
SMILESCNC(=O)c1cc(Oc2ccc(NC(=O)C(=O)Nc3ccccc3OC)cc2)ccn1
InChIInChI=1S/C22H20N4O5/c1-23-20(27)18-13-16(11-12-24-18)31-15-9-7-14(8-10-15)25-21(28)22(29)26-17-5-3-4-6-19(17)30-2/h3-13H,1-2H3,(H,23,27)(H,25,28)(H,26,29)
InChIKeyRJDSUNDNEXQYGR-UHFFFAOYSA-N
MW420.43 g/mol
LogP2.82
Rot. Bonds6

About N'-(2-methoxyphenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]oxamide

N'-(2-methoxyphenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]oxamide (PubChem CID 11339157) has the molecular formula C22H20N4O5 and a molecular weight of 420.43 g/mol. Its IUPAC name is N'-(2-methoxyphenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]oxamide.

Molecular Properties

Compound NameN'-(2-methoxyphenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]oxamide
PubChem CID11339157
Molecular FormulaC22H20N4O5
Molecular Weight420.43 g/mol
Exact Mass420.14
IUPAC NameN'-(2-methoxyphenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]oxamide
SMILESCNC(=O)c1cc(Oc2ccc(NC(=O)C(=O)Nc3ccccc3OC)cc2)ccn1
InChIInChI=1S/C22H20N4O5/c1-23-20(27)18-13-16(11-12-24-18)31-15-9-7-14(8-10-15)25-21(28)22(29)26-17-5-3-4-6-19(17)30-2/h3-13H,1-2H3,(H,23,27)(H,25,28)(H,26,29)
InChIKeyRJDSUNDNEXQYGR-UHFFFAOYSA-N
XLogP2.82
TPSA118.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.43
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-4-[4-[(2-methylphenyl)carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 56931255
N'-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-N-[4-(trifluoromethyl)phenyl]oxamide
CID 11236465
N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate
CID 86648443
2-methoxy-5-phenylaniline;4-[4-[(2-methoxy-5-phenylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 162196336
N'-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-N-[4-(trifluoromethyl)phenyl]oxamide
CID 11408487
4-[4-[(4-fluorophenyl)carbamothioylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 46842980
4-[4-[2-[(5-chloro-2-methoxyphenyl)carbamoyl]hydrazinyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 11224505
ethyl N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate
CID 138110037
N-methyl-4-[4-[(4-methylphenyl)carbamothioylamino]phenoxy]pyridine-2-carboxamide
CID 141473965
4-[4-[(3-fluorophenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 131953290
4-[4-[(3-chlorophenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 118002051
4-(4-chlorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]pyridine-2-carboxamide
CID 141417735

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyphenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]oxamide?
The IUPAC name of N'-(2-methoxyphenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]oxamide (CID 11339157) is N'-(2-methoxyphenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]oxamide.
What is the SMILES notation for N'-(2-methoxyphenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]oxamide?
The canonical SMILES for N'-(2-methoxyphenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]oxamide is CNC(=O)c1cc(Oc2ccc(NC(=O)C(=O)Nc3ccccc3OC)cc2)ccn1.
What is the InChIKey of N'-(2-methoxyphenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]oxamide?
The InChIKey is RJDSUNDNEXQYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O5/c1-23-20(27)18-13-16(11-12-24-18)31-15-9-7-14(8-10-15)25-21(28)22(29)26-17-5-3-4-6-19(17)30-2/h3-13H,1-2H3,(H,23,27)(H,25,28)(H,26,29).
What are the key properties of N'-(2-methoxyphenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]oxamide?
N'-(2-methoxyphenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]oxamide has a molecular weight of 420.43 g/mol, XLogP of 2.82, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyphenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]oxamide is sourced from PubChem (CID 11339157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).