4-[4-[[(2-methoxy-5-methylphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxylic acid

C22H21N3O5 — CID 90044907

IUPAC4-[4-[[(2-methoxy-5-methylphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxylic acid
SMILESCOc1ccc(C)cc1NC(=O)NCc1ccc(Oc2ccnc(C(=O)O)c2)cc1
InChIInChI=1S/C22H21N3O5/c1-14-3-8-20(29-2)18(11-14)25-22(28)24-13-15-4-6-16(7-5-15)30-17-9-10-23-19(12-17)21(26)27/h3-12H,13H2,1-2H3,(H,26,27)(H2,24,25,28)
InChIKeyWSQUCLVNVXNZBO-UHFFFAOYSA-N
MW407.43 g/mol
LogP4.21
Rot. Bonds7

About 4-[4-[[(2-methoxy-5-methylphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxylic acid

4-[4-[[(2-methoxy-5-methylphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxylic acid (PubChem CID 90044907) has the molecular formula C22H21N3O5 and a molecular weight of 407.43 g/mol. Its IUPAC name is 4-[4-[[(2-methoxy-5-methylphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[4-[[(2-methoxy-5-methylphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxylic acid
PubChem CID90044907
Molecular FormulaC22H21N3O5
Molecular Weight407.43 g/mol
Exact Mass407.15
IUPAC Name4-[4-[[(2-methoxy-5-methylphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxylic acid
SMILESCOc1ccc(C)cc1NC(=O)NCc1ccc(Oc2ccnc(C(=O)O)c2)cc1
InChIInChI=1S/C22H21N3O5/c1-14-3-8-20(29-2)18(11-14)25-22(28)24-13-15-4-6-16(7-5-15)30-17-9-10-23-19(12-17)21(26)27/h3-12H,13H2,1-2H3,(H,26,27)(H2,24,25,28)
InChIKeyWSQUCLVNVXNZBO-UHFFFAOYSA-N
XLogP4.21
TPSA109.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[4-[[(2-methoxy-5-methylphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxylic acid with MolForge

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Related Compounds

4-[4-[[(5-methyl-2-piperidin-4-yloxyphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxylic acid
CID 118293335
4-[4-[[(3-chloro-4-methoxyphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxylic acid
CID 118293271
1-(2-methoxy-5-methylphenyl)-3-[(4-methylphenyl)methyl]urea
CID 6467864
1-benzyl-3-(2-methoxy-5-methylphenyl)urea
CID 4694869
1-[[2-(diethylamino)-4-pyridinyl]methyl]-3-(2-methoxy-5-methylphenyl)urea
CID 50830130
4-[4-[[(4-chloro-5-methyl-2-pyrrol-1-ylphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxylic acid
CID 90044519
4-[4-[[(2-methoxy-4,5-dimethylphenyl)carbamoylamino]methyl]-2-methylphenoxy]-N-methylpyridine-2-carboxamide
CID 118301640
4-[4-[[(3-chloro-4-methoxyphenyl)carbamoylamino]methyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 73388161
4-[4-[[[4-acetamido-3-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenoxy]pyridine-2-carboxylic acid
CID 118293320
4-[4-[[[2-(2-acetamidoethoxy)-4-chloro-5-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenoxy]pyridine-2-carboxylic acid
CID 118293269
1-(2-methoxy-5-methylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 3797502
N-(2-methoxy-5-methylphenyl)-4-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109212313

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[(2-methoxy-5-methylphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxylic acid?
The IUPAC name of 4-[4-[[(2-methoxy-5-methylphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxylic acid (CID 90044907) is 4-[4-[[(2-methoxy-5-methylphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[4-[[(2-methoxy-5-methylphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[4-[[(2-methoxy-5-methylphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxylic acid is COc1ccc(C)cc1NC(=O)NCc1ccc(Oc2ccnc(C(=O)O)c2)cc1.
What is the InChIKey of 4-[4-[[(2-methoxy-5-methylphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxylic acid?
The InChIKey is WSQUCLVNVXNZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O5/c1-14-3-8-20(29-2)18(11-14)25-22(28)24-13-15-4-6-16(7-5-15)30-17-9-10-23-19(12-17)21(26)27/h3-12H,13H2,1-2H3,(H,26,27)(H2,24,25,28).
What are the key properties of 4-[4-[[(2-methoxy-5-methylphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxylic acid?
4-[4-[[(2-methoxy-5-methylphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxylic acid has a molecular weight of 407.43 g/mol, XLogP of 4.21, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[(2-methoxy-5-methylphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxylic acid is sourced from PubChem (CID 90044907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).