N'-cyclohexyl-N-[3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N'-methylethane-1,2-diamine

C23H29N5O2 — CID 83275065

IUPACN'-cyclohexyl-N-[3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N'-methylethane-1,2-diamine
SMILESCOc1ccc(-c2nnc(-c3cccnc3NCCN(C)C3CCCCC3)o2)cc1
InChIInChI=1S/C23H29N5O2/c1-28(18-7-4-3-5-8-18)16-15-25-21-20(9-6-14-24-21)23-27-26-22(30-23)17-10-12-19(29-2)13-11-17/h6,9-14,18H,3-5,7-8,15-16H2,1-2H3,(H,24,25)
InChIKeyTVXYHQPKBXYHOU-UHFFFAOYSA-N
MW407.52 g/mol
LogP4.48
Rot. Bonds8

About N'-cyclohexyl-N-[3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N'-methylethane-1,2-diamine

N'-cyclohexyl-N-[3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N'-methylethane-1,2-diamine (PubChem CID 83275065) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is N'-cyclohexyl-N-[3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclohexyl-N-[3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N'-methylethane-1,2-diamine
PubChem CID83275065
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC NameN'-cyclohexyl-N-[3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N'-methylethane-1,2-diamine
SMILESCOc1ccc(-c2nnc(-c3cccnc3NCCN(C)C3CCCCC3)o2)cc1
InChIInChI=1S/C23H29N5O2/c1-28(18-7-4-3-5-8-18)16-15-25-21-20(9-6-14-24-21)23-27-26-22(30-23)17-10-12-19(29-2)13-11-17/h6,9-14,18H,3-5,7-8,15-16H2,1-2H3,(H,24,25)
InChIKeyTVXYHQPKBXYHOU-UHFFFAOYSA-N
XLogP4.48
TPSA76.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(4-methoxybenzoyl)amino]-N-(2-pyridinyl)benzamide
CID 759561
6-(4-methoxybenzylamino)-N-(2-aminophenyl)nicotinamide
CID 9968179
(S)-4-(5-((2-aminophenyl)carbamoyl)pyridin-2-yl)-N-(4-methoxybenzyl)-2-methylpiperazine-1-carboxamide
CID 16662875
N-(2-{[(4-Ethoxyphenyl)carbonyl]amino}ethyl)-1-pyridin-2-yl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 46884950
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-(4-methoxyphenyl)pyrazol-1-yl]pyridine-3-carboxamide
CID 66720148
Diethyl-[3-[[5-[5-(4-isobutoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-pyridyl]amino]propyl]amine
CID 2526579
4-methoxy-N-{1-[1-(4-pyridinylmethyl)-4-piperidinyl]-1H-pyrazol-5-yl}benzamide
CID 24817226
N-(4-methoxyphenyl)-5-[2-(pyridin-2-ylmethylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine
CID 44408374
2-(4-Pyridin-2-ylpiperazin-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole
CID 162673871
2-(4-Methoxyphenyl)-5-(3-pyridinyl)-1,3,4-oxadiazole
CID 865615
2-(4-Fluorophenylamino)-N-((1-(4-methoxybenzyl)-1H-1,2,3-triazol-4-yl)methyl) nicotinamide
CID 90681008
5-(3-Methoxyphenyl)-3-[5-(4-piperidyl)-1,3,4-oxadiazol-2-yl]-pyridin-2-amine
CID 77105958

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N-[3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N'-cyclohexyl-N-[3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N'-methylethane-1,2-diamine (CID 83275065) is N'-cyclohexyl-N-[3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-cyclohexyl-N-[3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-cyclohexyl-N-[3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N'-methylethane-1,2-diamine is COc1ccc(-c2nnc(-c3cccnc3NCCN(C)C3CCCCC3)o2)cc1.
What is the InChIKey of N'-cyclohexyl-N-[3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N'-methylethane-1,2-diamine?
The InChIKey is TVXYHQPKBXYHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-28(18-7-4-3-5-8-18)16-15-25-21-20(9-6-14-24-21)23-27-26-22(30-23)17-10-12-19(29-2)13-11-17/h6,9-14,18H,3-5,7-8,15-16H2,1-2H3,(H,24,25).
What are the key properties of N'-cyclohexyl-N-[3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N'-methylethane-1,2-diamine?
N'-cyclohexyl-N-[3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N'-methylethane-1,2-diamine has a molecular weight of 407.52 g/mol, XLogP of 4.48, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N-[3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 83275065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).