1-amino-N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]cyclohexane-1-carboxamide

C14H20ClN3O2 — CID 119900722

IUPAC1-amino-N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]cyclohexane-1-carboxamide
SMILESNC1(C(=O)NCCOc2ncccc2Cl)CCCCC1
InChIInChI=1S/C14H20ClN3O2/c15-11-5-4-8-17-12(11)20-10-9-18-13(19)14(16)6-2-1-3-7-14/h4-5,8H,1-3,6-7,9-10,16H2,(H,18,19)
InChIKeyHGDIAASJSGGISQ-UHFFFAOYSA-N
MW297.79 g/mol
LogP1.89
Rot. Bonds5

About 1-amino-N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]cyclohexane-1-carboxamide

1-amino-N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]cyclohexane-1-carboxamide (PubChem CID 119900722) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 1-amino-N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]cyclohexane-1-carboxamide
PubChem CID119900722
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name1-amino-N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]cyclohexane-1-carboxamide
SMILESNC1(C(=O)NCCOc2ncccc2Cl)CCCCC1
InChIInChI=1S/C14H20ClN3O2/c15-11-5-4-8-17-12(11)20-10-9-18-13(19)14(16)6-2-1-3-7-14/h4-5,8H,1-3,6-7,9-10,16H2,(H,18,19)
InChIKeyHGDIAASJSGGISQ-UHFFFAOYSA-N
XLogP1.89
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]benzamide
CID 74766924
1-amino-N-[2-(4-chlorophenoxy)ethyl]cyclopentane-1-carboxamide
CID 119271539
1-amino-N-[2-(4-chlorophenoxy)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119271538
1-amino-N-[2-(4-propan-2-ylphenoxy)ethyl]cyclohexane-1-carboxamide
CID 119296017
1-amino-N-[2-(4-propan-2-ylphenoxy)ethyl]cyclopentane-1-carboxamide
CID 119296010
1-amino-N-[2-(3-chlorophenoxy)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119295699
1-amino-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide
CID 24704991
1-amino-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119296688
N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]piperidine-3-carboxamide
CID 119900670
1-amino-N-(2-naphthalen-2-yloxyethyl)cyclopentane-1-carboxamide
CID 119274156
1-amino-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]cyclohexane-1-carboxamide
CID 119320389
1-amino-N-[3-(2,4-dichlorophenoxy)propyl]cyclopentane-1-carboxamide
CID 119306646

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]cyclohexane-1-carboxamide (CID 119900722) is 1-amino-N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]cyclohexane-1-carboxamide is NC1(C(=O)NCCOc2ncccc2Cl)CCCCC1.
What is the InChIKey of 1-amino-N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]cyclohexane-1-carboxamide?
The InChIKey is HGDIAASJSGGISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c15-11-5-4-8-17-12(11)20-10-9-18-13(19)14(16)6-2-1-3-7-14/h4-5,8H,1-3,6-7,9-10,16H2,(H,18,19).
What are the key properties of 1-amino-N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]cyclohexane-1-carboxamide?
1-amino-N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]cyclohexane-1-carboxamide has a molecular weight of 297.79 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119900722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).