N-[4-[(7-chloro-1,6-naphthyridin-5-yl)oxy]cyclohexyl]pyrazin-2-amine

C18H18ClN5O — CID 165112831

IUPACN-[4-[(7-chloro-1,6-naphthyridin-5-yl)oxy]cyclohexyl]pyrazin-2-amine
SMILESClc1cc2ncccc2c(OC2CCC(Nc3cnccn3)CC2)n1
InChIInChI=1S/C18H18ClN5O/c19-16-10-15-14(2-1-7-21-15)18(24-16)25-13-5-3-12(4-6-13)23-17-11-20-8-9-22-17/h1-2,7-13H,3-6H2,(H,22,23)
InChIKeyBVMYIZRZGPYPKR-UHFFFAOYSA-N
MW355.83 g/mol
LogP3.88
Rot. Bonds4

About N-[4-[(7-chloro-1,6-naphthyridin-5-yl)oxy]cyclohexyl]pyrazin-2-amine

N-[4-[(7-chloro-1,6-naphthyridin-5-yl)oxy]cyclohexyl]pyrazin-2-amine (PubChem CID 165112831) has the molecular formula C18H18ClN5O and a molecular weight of 355.83 g/mol. Its IUPAC name is N-[4-[(7-chloro-1,6-naphthyridin-5-yl)oxy]cyclohexyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-[4-[(7-chloro-1,6-naphthyridin-5-yl)oxy]cyclohexyl]pyrazin-2-amine
PubChem CID165112831
Molecular FormulaC18H18ClN5O
Molecular Weight355.83 g/mol
Exact Mass355.12
IUPAC NameN-[4-[(7-chloro-1,6-naphthyridin-5-yl)oxy]cyclohexyl]pyrazin-2-amine
SMILESClc1cc2ncccc2c(OC2CCC(Nc3cnccn3)CC2)n1
InChIInChI=1S/C18H18ClN5O/c19-16-10-15-14(2-1-7-21-15)18(24-16)25-13-5-3-12(4-6-13)23-17-11-20-8-9-22-17/h1-2,7-13H,3-6H2,(H,22,23)
InChIKeyBVMYIZRZGPYPKR-UHFFFAOYSA-N
XLogP3.88
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(7-chloro-1,6-naphthyridin-5-yl)oxy]cyclohexyl]pyrazin-2-amine?
The IUPAC name of N-[4-[(7-chloro-1,6-naphthyridin-5-yl)oxy]cyclohexyl]pyrazin-2-amine (CID 165112831) is N-[4-[(7-chloro-1,6-naphthyridin-5-yl)oxy]cyclohexyl]pyrazin-2-amine.
What is the SMILES notation for N-[4-[(7-chloro-1,6-naphthyridin-5-yl)oxy]cyclohexyl]pyrazin-2-amine?
The canonical SMILES for N-[4-[(7-chloro-1,6-naphthyridin-5-yl)oxy]cyclohexyl]pyrazin-2-amine is Clc1cc2ncccc2c(OC2CCC(Nc3cnccn3)CC2)n1.
What is the InChIKey of N-[4-[(7-chloro-1,6-naphthyridin-5-yl)oxy]cyclohexyl]pyrazin-2-amine?
The InChIKey is BVMYIZRZGPYPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O/c19-16-10-15-14(2-1-7-21-15)18(24-16)25-13-5-3-12(4-6-13)23-17-11-20-8-9-22-17/h1-2,7-13H,3-6H2,(H,22,23).
What are the key properties of N-[4-[(7-chloro-1,6-naphthyridin-5-yl)oxy]cyclohexyl]pyrazin-2-amine?
N-[4-[(7-chloro-1,6-naphthyridin-5-yl)oxy]cyclohexyl]pyrazin-2-amine has a molecular weight of 355.83 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(7-chloro-1,6-naphthyridin-5-yl)oxy]cyclohexyl]pyrazin-2-amine is sourced from PubChem (CID 165112831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).