4-[4-[[(3-chloro-4-methoxyphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxylic acid

C21H18ClN3O5 — CID 118293271

IUPAC4-[4-[[(3-chloro-4-methoxyphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxylic acid
SMILESCOc1ccc(NC(=O)NCc2ccc(Oc3ccnc(C(=O)O)c3)cc2)cc1Cl
InChIInChI=1S/C21H18ClN3O5/c1-29-19-7-4-14(10-17(19)22)25-21(28)24-12-13-2-5-15(6-3-13)30-16-8-9-23-18(11-16)20(26)27/h2-11H,12H2,1H3,(H,26,27)(H2,24,25,28)
InChIKeyDWEFSFNHLFESOM-UHFFFAOYSA-N
MW427.84 g/mol
LogP4.56
Rot. Bonds7

About 4-[4-[[(3-chloro-4-methoxyphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxylic acid

4-[4-[[(3-chloro-4-methoxyphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxylic acid (PubChem CID 118293271) has the molecular formula C21H18ClN3O5 and a molecular weight of 427.84 g/mol. Its IUPAC name is 4-[4-[[(3-chloro-4-methoxyphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[4-[[(3-chloro-4-methoxyphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxylic acid
PubChem CID118293271
Molecular FormulaC21H18ClN3O5
Molecular Weight427.84 g/mol
Exact Mass427.09
IUPAC Name4-[4-[[(3-chloro-4-methoxyphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxylic acid
SMILESCOc1ccc(NC(=O)NCc2ccc(Oc3ccnc(C(=O)O)c3)cc2)cc1Cl
InChIInChI=1S/C21H18ClN3O5/c1-29-19-7-4-14(10-17(19)22)25-21(28)24-12-13-2-5-15(6-3-13)30-16-8-9-23-18(11-16)20(26)27/h2-11H,12H2,1H3,(H,26,27)(H2,24,25,28)
InChIKeyDWEFSFNHLFESOM-UHFFFAOYSA-N
XLogP4.56
TPSA109.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.84
LogP ≤ 54.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[4-[[(3-chloro-4-methoxyphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxylic acid with MolForge

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Related Compounds

4-[4-[[(3-chloro-4-methoxyphenyl)carbamoylamino]methyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 73388161
1-(3-chloro-4-methoxyphenyl)-3-[(4-pyridin-4-yloxyphenyl)methyl]urea
CID 73388284
4-[4-[[(2-methoxy-5-methylphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxylic acid
CID 90044907
4-[4-[[[3-chloro-4-(3-oxomorpholin-4-yl)phenyl]carbamoylamino]methyl]phenoxy]pyridine-2-carboxylic acid
CID 118293390
4-[4-[[[4-acetamido-3-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenoxy]pyridine-2-carboxylic acid
CID 118293320
1-(3,4-dimethylphenyl)-3-[(4-pyridin-4-yloxyphenyl)methyl]urea
CID 73388283
4-[4-[[(4-chloro-5-methyl-2-pyrrol-1-ylphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxylic acid
CID 90044519
2-N-benzyl-4-N-(3-chloro-4-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109085469
4-[4-[[[2-(2-acetamidoethoxy)-4-chloro-5-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenoxy]pyridine-2-carboxylic acid
CID 118293269
1-(3-chloro-4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108901858
1-(3-chloro-4-ethoxyphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 87009935
4-[4-[[(5-methyl-2-piperidin-4-yloxyphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxylic acid
CID 118293335

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[(3-chloro-4-methoxyphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxylic acid?
The IUPAC name of 4-[4-[[(3-chloro-4-methoxyphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxylic acid (CID 118293271) is 4-[4-[[(3-chloro-4-methoxyphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[4-[[(3-chloro-4-methoxyphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[4-[[(3-chloro-4-methoxyphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxylic acid is COc1ccc(NC(=O)NCc2ccc(Oc3ccnc(C(=O)O)c3)cc2)cc1Cl.
What is the InChIKey of 4-[4-[[(3-chloro-4-methoxyphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxylic acid?
The InChIKey is DWEFSFNHLFESOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O5/c1-29-19-7-4-14(10-17(19)22)25-21(28)24-12-13-2-5-15(6-3-13)30-16-8-9-23-18(11-16)20(26)27/h2-11H,12H2,1H3,(H,26,27)(H2,24,25,28).
What are the key properties of 4-[4-[[(3-chloro-4-methoxyphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxylic acid?
4-[4-[[(3-chloro-4-methoxyphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxylic acid has a molecular weight of 427.84 g/mol, XLogP of 4.56, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[(3-chloro-4-methoxyphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxylic acid is sourced from PubChem (CID 118293271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).