3-amino-N-(3-pyridin-2-yloxyphenyl)cyclohexane-1-carboxamide

C18H21N3O2 — CID 119884838

IUPAC3-amino-N-(3-pyridin-2-yloxyphenyl)cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)Nc2cccc(Oc3ccccn3)c2)C1
InChIInChI=1S/C18H21N3O2/c19-14-6-3-5-13(11-14)18(22)21-15-7-4-8-16(12-15)23-17-9-1-2-10-20-17/h1-2,4,7-10,12-14H,3,5-6,11,19H2,(H,21,22)
InChIKeyOCMLOGUCJIABEH-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.33
Rot. Bonds4

About 3-amino-N-(3-pyridin-2-yloxyphenyl)cyclohexane-1-carboxamide

3-amino-N-(3-pyridin-2-yloxyphenyl)cyclohexane-1-carboxamide (PubChem CID 119884838) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 3-amino-N-(3-pyridin-2-yloxyphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-pyridin-2-yloxyphenyl)cyclohexane-1-carboxamide
PubChem CID119884838
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name3-amino-N-(3-pyridin-2-yloxyphenyl)cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)Nc2cccc(Oc3ccccn3)c2)C1
InChIInChI=1S/C18H21N3O2/c19-14-6-3-5-13(11-14)18(22)21-15-7-4-8-16(12-15)23-17-9-1-2-10-20-17/h1-2,4,7-10,12-14H,3,5-6,11,19H2,(H,21,22)
InChIKeyOCMLOGUCJIABEH-UHFFFAOYSA-N
XLogP3.33
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-pyridin-2-yloxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120550074
3-amino-N-(3-phenoxyphenyl)cyclohexane-1-carboxamide
CID 119673239
3-amino-N-(3-pyridazin-3-yloxyphenyl)cyclopentane-1-carboxamide;dihydrochloride
CID 119894501
3-amino-N-(3-ethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119708471
3-amino-N-(3-pyridin-2-yloxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119884835
3-amino-N-(3-butan-2-yloxyphenyl)cyclohexane-1-carboxamide
CID 63044900
3-amino-N-[3-(cyanomethoxy)phenyl]cyclohexane-1-carboxamide
CID 63044296
3-amino-N-[3-(2-fluoroethoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119808982
N-(4-pyridin-2-yloxyphenyl)cyclopentanecarboxamide
CID 154837427
3-[4-[(3-aminocyclohexanecarbonyl)amino]phenoxy]benzamide
CID 119779656
3-amino-N-naphthalen-2-ylcyclohexane-1-carboxamide
CID 63043411
(2S,5R)-5-(aminomethyl)-N-(3-pyridin-2-yloxyphenyl)oxolane-2-carboxamide;dihydrochloride
CID 120800465

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-pyridin-2-yloxyphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-(3-pyridin-2-yloxyphenyl)cyclohexane-1-carboxamide (CID 119884838) is 3-amino-N-(3-pyridin-2-yloxyphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(3-pyridin-2-yloxyphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-(3-pyridin-2-yloxyphenyl)cyclohexane-1-carboxamide is NC1CCCC(C(=O)Nc2cccc(Oc3ccccn3)c2)C1.
What is the InChIKey of 3-amino-N-(3-pyridin-2-yloxyphenyl)cyclohexane-1-carboxamide?
The InChIKey is OCMLOGUCJIABEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c19-14-6-3-5-13(11-14)18(22)21-15-7-4-8-16(12-15)23-17-9-1-2-10-20-17/h1-2,4,7-10,12-14H,3,5-6,11,19H2,(H,21,22).
What are the key properties of 3-amino-N-(3-pyridin-2-yloxyphenyl)cyclohexane-1-carboxamide?
3-amino-N-(3-pyridin-2-yloxyphenyl)cyclohexane-1-carboxamide has a molecular weight of 311.38 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-pyridin-2-yloxyphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 119884838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).