4-[[6-(4-methylphenoxy)-3-pyridinyl]carbamoylamino]cyclohexane-1-carboxylic acid

C20H23N3O4 — CID 122076375

IUPAC4-[[6-(4-methylphenoxy)-3-pyridinyl]carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCc1ccc(Oc2ccc(NC(=O)NC3CCC(C(=O)O)CC3)cn2)cc1
InChIInChI=1S/C20H23N3O4/c1-13-2-9-17(10-3-13)27-18-11-8-16(12-21-18)23-20(26)22-15-6-4-14(5-7-15)19(24)25/h2-3,8-12,14-15H,4-7H2,1H3,(H,24,25)(H2,22,23,26)
InChIKeyNUQWCUYSHLOJIE-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.95
Rot. Bonds5

About 4-[[6-(4-methylphenoxy)-3-pyridinyl]carbamoylamino]cyclohexane-1-carboxylic acid

4-[[6-(4-methylphenoxy)-3-pyridinyl]carbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 122076375) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is 4-[[6-(4-methylphenoxy)-3-pyridinyl]carbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[6-(4-methylphenoxy)-3-pyridinyl]carbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID122076375
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name4-[[6-(4-methylphenoxy)-3-pyridinyl]carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCc1ccc(Oc2ccc(NC(=O)NC3CCC(C(=O)O)CC3)cn2)cc1
InChIInChI=1S/C20H23N3O4/c1-13-2-9-17(10-3-13)27-18-11-8-16(12-21-18)23-20(26)22-15-6-4-14(5-7-15)19(24)25/h2-3,8-12,14-15H,4-7H2,1H3,(H,24,25)(H2,22,23,26)
InChIKeyNUQWCUYSHLOJIE-UHFFFAOYSA-N
XLogP3.95
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[6-(4-methylphenoxy)-3-pyridinyl]carbamoylamino]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

4-[(2-methylpyrimidin-5-yl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122079348
1-(4-methoxyphenyl)-3-[6-(4-methylphenoxy)-3-pyridinyl]urea
CID 42691260
1-cyclopropyl-3-(6-ethoxy-3-pyridinyl)urea
CID 115687753
1-cycloheptyl-3-(6-methoxy-3-pyridinyl)urea
CID 47139424
4-[(3-phenoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122084514
1-[(2S)-1-hydroxypropan-2-yl]-3-[6-(4-methylphenoxy)-3-pyridinyl]urea
CID 94734823
N-[6-(4-fluorophenoxy)-3-pyridinyl]cyclopropanecarboxamide
CID 117059029
4-[[4-(2-carbamoylphenoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122086156
1-[[6-(4-chlorophenoxy)-3-pyridinyl]carbamoyl]piperidine-4-carboxylic acid
CID 122078011
4-[[4-(2-cyanophenoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122077652
4-cyclopropyl-N-[6-(4-methylphenoxy)-3-pyridinyl]piperazine-1-carboxamide
CID 127348584
4-[(2-methyl-4-pyridinyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122088413

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(4-methylphenoxy)-3-pyridinyl]carbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[6-(4-methylphenoxy)-3-pyridinyl]carbamoylamino]cyclohexane-1-carboxylic acid (CID 122076375) is 4-[[6-(4-methylphenoxy)-3-pyridinyl]carbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[6-(4-methylphenoxy)-3-pyridinyl]carbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[6-(4-methylphenoxy)-3-pyridinyl]carbamoylamino]cyclohexane-1-carboxylic acid is Cc1ccc(Oc2ccc(NC(=O)NC3CCC(C(=O)O)CC3)cn2)cc1.
What is the InChIKey of 4-[[6-(4-methylphenoxy)-3-pyridinyl]carbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is NUQWCUYSHLOJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-13-2-9-17(10-3-13)27-18-11-8-16(12-21-18)23-20(26)22-15-6-4-14(5-7-15)19(24)25/h2-3,8-12,14-15H,4-7H2,1H3,(H,24,25)(H2,22,23,26).
What are the key properties of 4-[[6-(4-methylphenoxy)-3-pyridinyl]carbamoylamino]cyclohexane-1-carboxylic acid?
4-[[6-(4-methylphenoxy)-3-pyridinyl]carbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 369.42 g/mol, XLogP of 3.95, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(4-methylphenoxy)-3-pyridinyl]carbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122076375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).