4-[3-[(5-chloro-2-methoxyphenyl)carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide

C21H18ClN3O4 — CID 11429828

IUPAC4-[3-[(5-chloro-2-methoxyphenyl)carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2cccc(C(=O)Nc3cc(Cl)ccc3OC)c2)ccn1
InChIInChI=1S/C21H18ClN3O4/c1-23-21(27)18-12-16(8-9-24-18)29-15-5-3-4-13(10-15)20(26)25-17-11-14(22)6-7-19(17)28-2/h3-12H,1-2H3,(H,23,27)(H,25,26)
InChIKeyINEMBPZZDFTMRO-UHFFFAOYSA-N
MW411.85 g/mol
LogP4.15
Rot. Bonds6

About 4-[3-[(5-chloro-2-methoxyphenyl)carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide

4-[3-[(5-chloro-2-methoxyphenyl)carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide (PubChem CID 11429828) has the molecular formula C21H18ClN3O4 and a molecular weight of 411.85 g/mol. Its IUPAC name is 4-[3-[(5-chloro-2-methoxyphenyl)carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[3-[(5-chloro-2-methoxyphenyl)carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide
PubChem CID11429828
Molecular FormulaC21H18ClN3O4
Molecular Weight411.85 g/mol
Exact Mass411.10
IUPAC Name4-[3-[(5-chloro-2-methoxyphenyl)carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2cccc(C(=O)Nc3cc(Cl)ccc3OC)c2)ccn1
InChIInChI=1S/C21H18ClN3O4/c1-23-21(27)18-12-16(8-9-24-18)29-15-5-3-4-13(10-15)20(26)25-17-11-14(22)6-7-19(17)28-2/h3-12H,1-2H3,(H,23,27)(H,25,26)
InChIKeyINEMBPZZDFTMRO-UHFFFAOYSA-N
XLogP4.15
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.85
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[2-[(5-chloro-2-methoxyphenyl)carbamoyl]hydrazinyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 11224505
4-[3-[[(4-methoxybenzoyl)amino]carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 58858348
[4-[3-[(4-chloro-2-hydroxyphenyl)carbamoyl]phenoxy]-2-pyridinyl] N-methylcarbamate
CID 91524506
4-methoxy-3-[(3-methoxybenzoyl)amino]-N-methylbenzamide
CID 87001832
4-N-(5-chloro-2-methoxyphenyl)-2-N-(4-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109092735
2-bromo-N-(5-chloro-2-methoxyphenyl)pyridine-4-carboxamide
CID 103751745
N-(5-chloro-2-methoxyphenyl)-3-[4-(2-methoxyphenoxy)pyrimidin-2-yl]benzamide
CID 46386575
N-methyl-4-[3-[[[3-(trifluoromethoxy)benzoyl]amino]carbamoyl]phenoxy]pyridine-2-carboxamide
CID 11248488
N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-3-fluoro-4-methoxybenzamide
CID 100614872
N'-(2-methoxyphenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]oxamide
CID 11339157
2-N-(5-chloro-2-methoxyphenyl)-4-N-cyclohexylpyridine-2,4-dicarboxamide
CID 109081455
N-(6-chloroquinolin-4-yl)-3-methoxybenzamide
CID 17016577

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(5-chloro-2-methoxyphenyl)carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[3-[(5-chloro-2-methoxyphenyl)carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide (CID 11429828) is 4-[3-[(5-chloro-2-methoxyphenyl)carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[3-[(5-chloro-2-methoxyphenyl)carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[3-[(5-chloro-2-methoxyphenyl)carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2cccc(C(=O)Nc3cc(Cl)ccc3OC)c2)ccn1.
What is the InChIKey of 4-[3-[(5-chloro-2-methoxyphenyl)carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide?
The InChIKey is INEMBPZZDFTMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O4/c1-23-21(27)18-12-16(8-9-24-18)29-15-5-3-4-13(10-15)20(26)25-17-11-14(22)6-7-19(17)28-2/h3-12H,1-2H3,(H,23,27)(H,25,26).
What are the key properties of 4-[3-[(5-chloro-2-methoxyphenyl)carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide?
4-[3-[(5-chloro-2-methoxyphenyl)carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide has a molecular weight of 411.85 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(5-chloro-2-methoxyphenyl)carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 11429828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).