N-(4-aminocyclohexyl)-3-[(6-amino-3-pyridinyl)oxy]-5-phenoxybenzamide

C24H26N4O3 — CID 141280523

IUPACN-(4-aminocyclohexyl)-3-[(6-amino-3-pyridinyl)oxy]-5-phenoxybenzamide
SMILESNc1ccc(Oc2cc(Oc3ccccc3)cc(C(=O)NC3CCC(N)CC3)c2)cn1
InChIInChI=1S/C24H26N4O3/c25-17-6-8-18(9-7-17)28-24(29)16-12-21(30-19-4-2-1-3-5-19)14-22(13-16)31-20-10-11-23(26)27-15-20/h1-5,10-15,17-18H,6-9,25H2,(H2,26,27)(H,28,29)
InChIKeyABULCHIDNAGAFS-UHFFFAOYSA-N
MW418.50 g/mol
LogP4.25
Rot. Bonds6

About N-(4-aminocyclohexyl)-3-[(6-amino-3-pyridinyl)oxy]-5-phenoxybenzamide

N-(4-aminocyclohexyl)-3-[(6-amino-3-pyridinyl)oxy]-5-phenoxybenzamide (PubChem CID 141280523) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-3-[(6-amino-3-pyridinyl)oxy]-5-phenoxybenzamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-3-[(6-amino-3-pyridinyl)oxy]-5-phenoxybenzamide
PubChem CID141280523
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC NameN-(4-aminocyclohexyl)-3-[(6-amino-3-pyridinyl)oxy]-5-phenoxybenzamide
SMILESNc1ccc(Oc2cc(Oc3ccccc3)cc(C(=O)NC3CCC(N)CC3)c2)cn1
InChIInChI=1S/C24H26N4O3/c25-17-6-8-18(9-7-17)28-24(29)16-12-21(30-19-4-2-1-3-5-19)14-22(13-16)31-20-10-11-23(26)27-15-20/h1-5,10-15,17-18H,6-9,25H2,(H2,26,27)(H,28,29)
InChIKeyABULCHIDNAGAFS-UHFFFAOYSA-N
XLogP4.25
TPSA112.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-(4-aminocyclohexyl)-3-[(6-amino-3-pyridinyl)oxy]-5-phenoxybenzamide with MolForge

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Related Compounds

tert-butyl N-[[4-[3-[(6-amino-3-pyridinyl)oxy]-5-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamoyl]phenoxy]phenyl]methyl]carbamate
CID 66818687
N-cyclopentyl-3-phenoxybenzamide
CID 2684460
N-(4-aminocyclohexyl)-3-(4-carbamimidoylphenoxy)-5-[4-(dimethylcarbamoyl)phenoxy]benzamide
CID 66818648
N-(4-aminocyclohexyl)-6-(4-bromophenoxy)pyridine-3-carboxamide
CID 119474511
N-(4-aminocyclohexyl)-5-phenoxyfuran-2-carboxamide;hydrochloride
CID 119476761
N-cyclopropyl-3-[(3-phenoxybenzoyl)amino]benzamide
CID 9438583
cis-(1R,3S)-3-[(4-pyridin-3-yloxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120677236
3-phenoxy-N-piperidin-4-ylbenzamide
CID 71730778
N-(4-aminocycloheptyl)-3-(trifluoromethoxy)benzamide
CID 69105937
ethyl 4-[3-[(4-aminocyclohexyl)carbamoyl]-5-[4-(3-aminopropanoylamino)phenoxy]phenoxy]benzenecarboximidate
CID 66818762
[4-[[3-(4-cyanobutoxy)-5-(4-cyanophenoxy)benzoyl]amino]cyclohexyl]carbamic acid
CID 141280481
[4-[[3-[4-(aminomethyl)phenoxy]-5-hydroxybenzoyl]amino]cyclohexyl]carbamic acid
CID 141280419

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-3-[(6-amino-3-pyridinyl)oxy]-5-phenoxybenzamide?
The IUPAC name of N-(4-aminocyclohexyl)-3-[(6-amino-3-pyridinyl)oxy]-5-phenoxybenzamide (CID 141280523) is N-(4-aminocyclohexyl)-3-[(6-amino-3-pyridinyl)oxy]-5-phenoxybenzamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-3-[(6-amino-3-pyridinyl)oxy]-5-phenoxybenzamide?
The canonical SMILES for N-(4-aminocyclohexyl)-3-[(6-amino-3-pyridinyl)oxy]-5-phenoxybenzamide is Nc1ccc(Oc2cc(Oc3ccccc3)cc(C(=O)NC3CCC(N)CC3)c2)cn1.
What is the InChIKey of N-(4-aminocyclohexyl)-3-[(6-amino-3-pyridinyl)oxy]-5-phenoxybenzamide?
The InChIKey is ABULCHIDNAGAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c25-17-6-8-18(9-7-17)28-24(29)16-12-21(30-19-4-2-1-3-5-19)14-22(13-16)31-20-10-11-23(26)27-15-20/h1-5,10-15,17-18H,6-9,25H2,(H2,26,27)(H,28,29).
What are the key properties of N-(4-aminocyclohexyl)-3-[(6-amino-3-pyridinyl)oxy]-5-phenoxybenzamide?
N-(4-aminocyclohexyl)-3-[(6-amino-3-pyridinyl)oxy]-5-phenoxybenzamide has a molecular weight of 418.50 g/mol, XLogP of 4.25, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-3-[(6-amino-3-pyridinyl)oxy]-5-phenoxybenzamide is sourced from PubChem (CID 141280523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).