N-[4-[(3-cyclohex-3-en-1-yl-2-pyridinyl)oxy]phenyl]pyridin-2-amine

C22H21N3O — CID 67426031

IUPACN-[4-[(3-cyclohex-3-en-1-yl-2-pyridinyl)oxy]phenyl]pyridin-2-amine
SMILESC1=CCC(c2cccnc2Oc2ccc(Nc3ccccn3)cc2)CC1
InChIInChI=1S/C22H21N3O/c1-2-7-17(8-3-1)20-9-6-16-24-22(20)26-19-13-11-18(12-14-19)25-21-10-4-5-15-23-21/h1-2,4-6,9-17H,3,7-8H2,(H,23,25)
InChIKeyQNAJWWHVCLCJKT-UHFFFAOYSA-N
MW343.43 g/mol
LogP5.84
Rot. Bonds5

About N-[4-[(3-cyclohex-3-en-1-yl-2-pyridinyl)oxy]phenyl]pyridin-2-amine

N-[4-[(3-cyclohex-3-en-1-yl-2-pyridinyl)oxy]phenyl]pyridin-2-amine (PubChem CID 67426031) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[4-[(3-cyclohex-3-en-1-yl-2-pyridinyl)oxy]phenyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[4-[(3-cyclohex-3-en-1-yl-2-pyridinyl)oxy]phenyl]pyridin-2-amine
PubChem CID67426031
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC NameN-[4-[(3-cyclohex-3-en-1-yl-2-pyridinyl)oxy]phenyl]pyridin-2-amine
SMILESC1=CCC(c2cccnc2Oc2ccc(Nc3ccccn3)cc2)CC1
InChIInChI=1S/C22H21N3O/c1-2-7-17(8-3-1)20-9-6-16-24-22(20)26-19-13-11-18(12-14-19)25-21-10-4-5-15-23-21/h1-2,4-6,9-17H,3,7-8H2,(H,23,25)
InChIKeyQNAJWWHVCLCJKT-UHFFFAOYSA-N
XLogP5.84
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.43
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-cyclohex-3-en-1-yl-2-pyridinyl)oxy]phenyl]pyridin-2-amine?
The IUPAC name of N-[4-[(3-cyclohex-3-en-1-yl-2-pyridinyl)oxy]phenyl]pyridin-2-amine (CID 67426031) is N-[4-[(3-cyclohex-3-en-1-yl-2-pyridinyl)oxy]phenyl]pyridin-2-amine.
What is the SMILES notation for N-[4-[(3-cyclohex-3-en-1-yl-2-pyridinyl)oxy]phenyl]pyridin-2-amine?
The canonical SMILES for N-[4-[(3-cyclohex-3-en-1-yl-2-pyridinyl)oxy]phenyl]pyridin-2-amine is C1=CCC(c2cccnc2Oc2ccc(Nc3ccccn3)cc2)CC1.
What is the InChIKey of N-[4-[(3-cyclohex-3-en-1-yl-2-pyridinyl)oxy]phenyl]pyridin-2-amine?
The InChIKey is QNAJWWHVCLCJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O/c1-2-7-17(8-3-1)20-9-6-16-24-22(20)26-19-13-11-18(12-14-19)25-21-10-4-5-15-23-21/h1-2,4-6,9-17H,3,7-8H2,(H,23,25).
What are the key properties of N-[4-[(3-cyclohex-3-en-1-yl-2-pyridinyl)oxy]phenyl]pyridin-2-amine?
N-[4-[(3-cyclohex-3-en-1-yl-2-pyridinyl)oxy]phenyl]pyridin-2-amine has a molecular weight of 343.43 g/mol, XLogP of 5.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-cyclohex-3-en-1-yl-2-pyridinyl)oxy]phenyl]pyridin-2-amine is sourced from PubChem (CID 67426031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).