[4-[[3,5-bis[(5-cyano-2-pyridinyl)oxy]benzoyl]amino]cyclohexyl]carbamic acid

C26H22N6O5 — CID 141280425

IUPAC[4-[[3,5-bis[(5-cyano-2-pyridinyl)oxy]benzoyl]amino]cyclohexyl]carbamic acid
SMILESN#Cc1ccc(Oc2cc(Oc3ccc(C#N)cn3)cc(C(=O)NC3CCC(NC(=O)O)CC3)c2)nc1
InChIInChI=1S/C26H22N6O5/c27-12-16-1-7-23(29-14-16)36-21-9-18(10-22(11-21)37-24-8-2-17(13-28)15-30-24)25(33)31-19-3-5-20(6-4-19)32-26(34)35/h1-2,7-11,14-15,19-20,32H,3-6H2,(H,31,33)(H,34,35)
InChIKeyONXZIDHBYJGRCN-UHFFFAOYSA-N
MW498.50 g/mol
LogP4.11
Rot. Bonds7

About [4-[[3,5-bis[(5-cyano-2-pyridinyl)oxy]benzoyl]amino]cyclohexyl]carbamic acid

[4-[[3,5-bis[(5-cyano-2-pyridinyl)oxy]benzoyl]amino]cyclohexyl]carbamic acid (PubChem CID 141280425) has the molecular formula C26H22N6O5 and a molecular weight of 498.50 g/mol. Its IUPAC name is [4-[[3,5-bis[(5-cyano-2-pyridinyl)oxy]benzoyl]amino]cyclohexyl]carbamic acid.

Molecular Properties

Compound Name[4-[[3,5-bis[(5-cyano-2-pyridinyl)oxy]benzoyl]amino]cyclohexyl]carbamic acid
PubChem CID141280425
Molecular FormulaC26H22N6O5
Molecular Weight498.50 g/mol
Exact Mass498.17
IUPAC Name[4-[[3,5-bis[(5-cyano-2-pyridinyl)oxy]benzoyl]amino]cyclohexyl]carbamic acid
SMILESN#Cc1ccc(Oc2cc(Oc3ccc(C#N)cn3)cc(C(=O)NC3CCC(NC(=O)O)CC3)c2)nc1
InChIInChI=1S/C26H22N6O5/c27-12-16-1-7-23(29-14-16)36-21-9-18(10-22(11-21)37-24-8-2-17(13-28)15-30-24)25(33)31-19-3-5-20(6-4-19)32-26(34)35/h1-2,7-11,14-15,19-20,32H,3-6H2,(H,31,33)(H,34,35)
InChIKeyONXZIDHBYJGRCN-UHFFFAOYSA-N
XLogP4.11
TPSA170.25 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.50
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze [4-[[3,5-bis[(5-cyano-2-pyridinyl)oxy]benzoyl]amino]cyclohexyl]carbamic acid with MolForge

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Related Compounds

[4-[[3-(4-cyanobutoxy)-5-(4-cyanophenoxy)benzoyl]amino]cyclohexyl]carbamic acid
CID 141280481
2,6-bis(4-cyanophenoxy)-N-piperidin-4-ylpyridine-4-carboxamide
CID 67607186
ethyl 3,5-bis[(5-cyano-2-pyridinyl)oxy]benzoate
CID 66818619
3-[(5-cyano-2-pyridinyl)oxy]-4-methylbenzoic acid
CID 61396265
N-[4-[(5-cyano-2-pyridinyl)oxy]cyclohexyl]acetamide
CID 71063607
N-[4-[(5-cyano-2-pyridinyl)oxy]cyclohexyl]-2-sulfanylidene-3H-1,3-benzoxazole-6-carboxamide
CID 170458750
tert-butyl 4-[3,5-bis[(5-cyano-2-pyridinyl)oxy]benzoyl]piperazine-1-carboxylate
CID 66818611
3,5-bis(4-cyanophenoxy)-N-(1-propylpiperidin-4-yl)benzamide
CID 91557518
6-[4-(benzenesulfonamido)phenoxy]-N-cyclopropylpyridine-3-carboxamide
CID 53119974
N-(4-aminocyclohexyl)-6-(4-bromophenoxy)pyridine-3-carboxamide
CID 119474511
4-[[3-[(5-cyano-2-pyridinyl)oxy]pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122024721
N-[(1R,3R)-3-(4-cyano-3,5-dimethylphenoxy)cyclopentyl]-2-methylpyrimidine-5-carboxamide
CID 163267588

Frequently Asked Questions

What is the IUPAC name of [4-[[3,5-bis[(5-cyano-2-pyridinyl)oxy]benzoyl]amino]cyclohexyl]carbamic acid?
The IUPAC name of [4-[[3,5-bis[(5-cyano-2-pyridinyl)oxy]benzoyl]amino]cyclohexyl]carbamic acid (CID 141280425) is [4-[[3,5-bis[(5-cyano-2-pyridinyl)oxy]benzoyl]amino]cyclohexyl]carbamic acid.
What is the SMILES notation for [4-[[3,5-bis[(5-cyano-2-pyridinyl)oxy]benzoyl]amino]cyclohexyl]carbamic acid?
The canonical SMILES for [4-[[3,5-bis[(5-cyano-2-pyridinyl)oxy]benzoyl]amino]cyclohexyl]carbamic acid is N#Cc1ccc(Oc2cc(Oc3ccc(C#N)cn3)cc(C(=O)NC3CCC(NC(=O)O)CC3)c2)nc1.
What is the InChIKey of [4-[[3,5-bis[(5-cyano-2-pyridinyl)oxy]benzoyl]amino]cyclohexyl]carbamic acid?
The InChIKey is ONXZIDHBYJGRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N6O5/c27-12-16-1-7-23(29-14-16)36-21-9-18(10-22(11-21)37-24-8-2-17(13-28)15-30-24)25(33)31-19-3-5-20(6-4-19)32-26(34)35/h1-2,7-11,14-15,19-20,32H,3-6H2,(H,31,33)(H,34,35).
What are the key properties of [4-[[3,5-bis[(5-cyano-2-pyridinyl)oxy]benzoyl]amino]cyclohexyl]carbamic acid?
[4-[[3,5-bis[(5-cyano-2-pyridinyl)oxy]benzoyl]amino]cyclohexyl]carbamic acid has a molecular weight of 498.50 g/mol, XLogP of 4.11, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3,5-bis[(5-cyano-2-pyridinyl)oxy]benzoyl]amino]cyclohexyl]carbamic acid is sourced from PubChem (CID 141280425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).