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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Related Compounds

(R)-N-(3-chloro-4-(pyrazin-2-ylmethoxy)phenyl)-5-(1-(dimethylamino)propan-2-yloxy)quinazolin-4-amine
CID 11751635
2-(6-chloro-3-pyridinyl)-N-(4-methyl-3-pyridinyl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 71450433
[3-Chloro-4-(pyrazin-2-ylmethoxy)-phenyl]-[5-(1-methyl-piperidin-4-yloxy)-quinazolin-4-yl]-amine
CID 10162630
N2-(4-(3-(piperidin-1-yl)propoxy)phenyl)-N4-(quinolin-3-yl)pyrimidine-2,4-diamine
CID 10275985
4-(4-Benzyloxyanilino)-6-(N-methylimidazol-5-yl)pyrido[3,4-d]pyrimidine
CID 22112846
6-(2-Morpholinoethylamino)-4-(4-phenoxyphenylamino)-1,7-naphthyridine-3-carbonitrile
CID 44405504
N,N-dimethyl-5-[5-[[(3S)-piperidin-3-yl]methoxy]pyrido[3,4-b]pyrazin-7-yl]pyridin-2-amine
CID 66556032
N,N-dimethyl-5-(5-{[(3R)-3-piperidinylmethyl]oxy}pyrido[3,4-b]pyrazin-7-yl)-2-pyridinamine
CID 66556365
3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methyl-N-propan-2-ylpyrido[3,4-b]pyrazin-2-amine
CID 91827633
2-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-4-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 117827358
N-[2-(3-chlorophenyl)ethyl]-7-[[1-[2-(quinolin-4-ylamino)ethyl]piperidin-4-yl]methoxy]quinazolin-4-amine
CID 117967663
2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methyl-N-propan-2-ylpyrido[3,4-b]pyrazin-3-amine
CID 118310193

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).