4-(4-chlorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]pyridine-2-carboxamide

C25H19ClN4O3 — CID 141417735

IUPAC4-(4-chlorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(NC(=O)c3cc(-c4ccc(Cl)cc4)ccn3)cc2)ccn1
InChIInChI=1S/C25H19ClN4O3/c1-27-24(31)23-15-21(11-13-29-23)33-20-8-6-19(7-9-20)30-25(32)22-14-17(10-12-28-22)16-2-4-18(26)5-3-16/h2-15H,1H3,(H,27,31)(H,30,32)
InChIKeyOGMOLOBPNWTUNA-UHFFFAOYSA-N
MW458.91 g/mol
LogP5.20
Rot. Bonds6

About 4-(4-chlorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]pyridine-2-carboxamide

4-(4-chlorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]pyridine-2-carboxamide (PubChem CID 141417735) has the molecular formula C25H19ClN4O3 and a molecular weight of 458.91 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]pyridine-2-carboxamide
PubChem CID141417735
Molecular FormulaC25H19ClN4O3
Molecular Weight458.91 g/mol
Exact Mass458.11
IUPAC Name4-(4-chlorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(NC(=O)c3cc(-c4ccc(Cl)cc4)ccn3)cc2)ccn1
InChIInChI=1S/C25H19ClN4O3/c1-27-24(31)23-15-21(11-13-29-23)33-20-8-6-19(7-9-20)30-25(32)22-14-17(10-12-28-22)16-2-4-18(26)5-3-16/h2-15H,1H3,(H,27,31)(H,30,32)
InChIKeyOGMOLOBPNWTUNA-UHFFFAOYSA-N
XLogP5.20
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.91
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(4-chlorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]pyridine-2-carboxamide with MolForge

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Related Compounds

N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate
CID 86648443
4-[4-[(3-chlorophenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 118002051
N-methyl-4-[4-[(4-methylphenyl)carbamothioylamino]phenoxy]pyridine-2-carboxamide
CID 141473965
ethyl N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate
CID 138110037
4-[4-[(4-fluorophenyl)carbamothioylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 46842980
[4-[4-[[4-(4-chlorophenyl)-1H-pyrrole-2-carbonyl]amino]phenoxy]-2-pyridinyl] N-methylcarbamate
CID 67772888
N'-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-N-[4-(trifluoromethyl)phenyl]oxamide
CID 11236465
4-[4-[(2-fluoro-5-iodophenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 138743251
4-[4-[(2-chloro-6-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 139036241
4-[4-[2-[(5-chloro-2-methoxyphenyl)carbamoyl]hydrazinyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 11224505
N-methyl-4-[4-[(2-methylphenyl)carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 56931255
4-[4-[(3-fluorophenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 131953290

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]pyridine-2-carboxamide?
The IUPAC name of 4-(4-chlorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]pyridine-2-carboxamide (CID 141417735) is 4-(4-chlorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]pyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc(NC(=O)c3cc(-c4ccc(Cl)cc4)ccn3)cc2)ccn1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]pyridine-2-carboxamide?
The InChIKey is OGMOLOBPNWTUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN4O3/c1-27-24(31)23-15-21(11-13-29-23)33-20-8-6-19(7-9-20)30-25(32)22-14-17(10-12-28-22)16-2-4-18(26)5-3-16/h2-15H,1H3,(H,27,31)(H,30,32).
What are the key properties of 4-(4-chlorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]pyridine-2-carboxamide?
4-(4-chlorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]pyridine-2-carboxamide has a molecular weight of 458.91 g/mol, XLogP of 5.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 141417735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).