4-[4-[[(5-methyl-2-piperidin-4-yloxyphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxylic acid

C26H28N4O5 — CID 118293335

IUPAC4-[4-[[(5-methyl-2-piperidin-4-yloxyphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxylic acid
SMILESCc1ccc(OC2CCNCC2)c(NC(=O)NCc2ccc(Oc3ccnc(C(=O)O)c3)cc2)c1
InChIInChI=1S/C26H28N4O5/c1-17-2-7-24(35-20-8-11-27-12-9-20)22(14-17)30-26(33)29-16-18-3-5-19(6-4-18)34-21-10-13-28-23(15-21)25(31)32/h2-7,10,13-15,20,27H,8-9,11-12,16H2,1H3,(H,31,32)(H2,29,30,33)
InChIKeyGMBRHPOOSBYGME-UHFFFAOYSA-N
MW476.53 g/mol
LogP4.33
Rot. Bonds8

About 4-[4-[[(5-methyl-2-piperidin-4-yloxyphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxylic acid

4-[4-[[(5-methyl-2-piperidin-4-yloxyphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxylic acid (PubChem CID 118293335) has the molecular formula C26H28N4O5 and a molecular weight of 476.53 g/mol. Its IUPAC name is 4-[4-[[(5-methyl-2-piperidin-4-yloxyphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[4-[[(5-methyl-2-piperidin-4-yloxyphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxylic acid
PubChem CID118293335
Molecular FormulaC26H28N4O5
Molecular Weight476.53 g/mol
Exact Mass476.21
IUPAC Name4-[4-[[(5-methyl-2-piperidin-4-yloxyphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxylic acid
SMILESCc1ccc(OC2CCNCC2)c(NC(=O)NCc2ccc(Oc3ccnc(C(=O)O)c3)cc2)c1
InChIInChI=1S/C26H28N4O5/c1-17-2-7-24(35-20-8-11-27-12-9-20)22(14-17)30-26(33)29-16-18-3-5-19(6-4-18)34-21-10-13-28-23(15-21)25(31)32/h2-7,10,13-15,20,27H,8-9,11-12,16H2,1H3,(H,31,32)(H2,29,30,33)
InChIKeyGMBRHPOOSBYGME-UHFFFAOYSA-N
XLogP4.33
TPSA121.81 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.53
LogP ≤ 54.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-[4-[[(2-methoxy-5-methylphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxylic acid
CID 90044907
N-methyl-4-[4-[[2-piperidin-4-yloxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 58919781
4-[4-[[(3-chloro-4-methoxyphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxylic acid
CID 118293271
4-[4-[[[4-acetamido-3-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenoxy]pyridine-2-carboxylic acid
CID 118293320
4-[4-[[[5-chloro-4-methyl-2-(2-piperazin-1-ylethoxy)phenyl]carbamoylamino]methyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 90044140
4-[4-[[(4-chloro-5-methyl-2-pyrrol-1-ylphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxylic acid
CID 90044519
4-[4-[[[2-(2-acetamidoethoxy)-4-chloro-5-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenoxy]pyridine-2-carboxylic acid
CID 118293269
4-[4-[[4-chloro-2-piperidin-4-yloxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 58919833
1-(2-methoxy-5-methylphenyl)-3-[(4-methylphenyl)methyl]urea
CID 6467864
4-[4-[[(2-methoxy-4,5-dimethylphenyl)carbamoylamino]methyl]-2-methylphenoxy]-N-methylpyridine-2-carboxamide
CID 118301640
carbamoyl 4-[4-[(3-chloro-4-piperidin-4-yloxyphenyl)carbamoylamino]phenoxy]pyridine-2-carboxylate
CID 91324843
carbamoyl 4-[4-[[4-piperidin-4-yloxy-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxylate
CID 90766752

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[(5-methyl-2-piperidin-4-yloxyphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxylic acid?
The IUPAC name of 4-[4-[[(5-methyl-2-piperidin-4-yloxyphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxylic acid (CID 118293335) is 4-[4-[[(5-methyl-2-piperidin-4-yloxyphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[4-[[(5-methyl-2-piperidin-4-yloxyphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[4-[[(5-methyl-2-piperidin-4-yloxyphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxylic acid is Cc1ccc(OC2CCNCC2)c(NC(=O)NCc2ccc(Oc3ccnc(C(=O)O)c3)cc2)c1.
What is the InChIKey of 4-[4-[[(5-methyl-2-piperidin-4-yloxyphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxylic acid?
The InChIKey is GMBRHPOOSBYGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O5/c1-17-2-7-24(35-20-8-11-27-12-9-20)22(14-17)30-26(33)29-16-18-3-5-19(6-4-18)34-21-10-13-28-23(15-21)25(31)32/h2-7,10,13-15,20,27H,8-9,11-12,16H2,1H3,(H,31,32)(H2,29,30,33).
What are the key properties of 4-[4-[[(5-methyl-2-piperidin-4-yloxyphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxylic acid?
4-[4-[[(5-methyl-2-piperidin-4-yloxyphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxylic acid has a molecular weight of 476.53 g/mol, XLogP of 4.33, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[(5-methyl-2-piperidin-4-yloxyphenyl)carbamoylamino]methyl]phenoxy]pyridine-2-carboxylic acid is sourced from PubChem (CID 118293335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).