N-(2-cycloheptyloxyethyl)pyrido[2,3-b]pyrazin-6-amine

C16H22N4O — CID 133308532

IUPACN-(2-cycloheptyloxyethyl)pyrido[2,3-b]pyrazin-6-amine
SMILESc1cnc2nc(NCCOC3CCCCCC3)ccc2n1
InChIInChI=1S/C16H22N4O/c1-2-4-6-13(5-3-1)21-12-11-18-15-8-7-14-16(20-15)19-10-9-17-14/h7-10,13H,1-6,11-12H2,(H,18,19,20)
InChIKeyRLETXDVNXCOECK-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.18
Rot. Bonds5

About N-(2-cycloheptyloxyethyl)pyrido[2,3-b]pyrazin-6-amine

N-(2-cycloheptyloxyethyl)pyrido[2,3-b]pyrazin-6-amine (PubChem CID 133308532) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-(2-cycloheptyloxyethyl)pyrido[2,3-b]pyrazin-6-amine.

Molecular Properties

Compound NameN-(2-cycloheptyloxyethyl)pyrido[2,3-b]pyrazin-6-amine
PubChem CID133308532
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-(2-cycloheptyloxyethyl)pyrido[2,3-b]pyrazin-6-amine
SMILESc1cnc2nc(NCCOC3CCCCCC3)ccc2n1
InChIInChI=1S/C16H22N4O/c1-2-4-6-13(5-3-1)21-12-11-18-15-8-7-14-16(20-15)19-10-9-17-14/h7-10,13H,1-6,11-12H2,(H,18,19,20)
InChIKeyRLETXDVNXCOECK-UHFFFAOYSA-N
XLogP3.18
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclohexylmethyl)pyrido[2,3-b]pyrazin-6-amine
CID 78988709
N-(2-cyclopropylethyl)pyrido[2,3-b]pyrazin-6-amine
CID 79033935
N-(2-butoxyethyl)pyrido[2,3-b]pyrazin-6-amine
CID 78988496
2-chloro-N-(2-cyclopentyloxyethyl)pyrimidin-4-amine
CID 63833715
N-(2-cyclohexyloxyethyl)pyrazin-2-amine
CID 61064390
N-(3-butoxypropyl)pyrido[2,3-b]pyrazin-6-amine
CID 115599008
N-[(4-methylcyclohexyl)methyl]pyrido[2,3-b]pyrazin-6-amine
CID 78988476
6-N-(2-cyclopentyloxyethyl)-2-N-ethylpyridine-2,6-diamine
CID 80846644
6-N-(2-cyclopentyloxyethyl)pyridine-2,6-diamine
CID 80647858
N-(2-methylsulfonylethyl)pyrido[2,3-b]pyrazin-6-amine
CID 78955171
2-N-(2-cyclopentyloxyethyl)-6-methoxypyridine-2,5-diamine
CID 63826021
N-(2-cyclohexyloxyethyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 115372569

Frequently Asked Questions

What is the IUPAC name of N-(2-cycloheptyloxyethyl)pyrido[2,3-b]pyrazin-6-amine?
The IUPAC name of N-(2-cycloheptyloxyethyl)pyrido[2,3-b]pyrazin-6-amine (CID 133308532) is N-(2-cycloheptyloxyethyl)pyrido[2,3-b]pyrazin-6-amine.
What is the SMILES notation for N-(2-cycloheptyloxyethyl)pyrido[2,3-b]pyrazin-6-amine?
The canonical SMILES for N-(2-cycloheptyloxyethyl)pyrido[2,3-b]pyrazin-6-amine is c1cnc2nc(NCCOC3CCCCCC3)ccc2n1.
What is the InChIKey of N-(2-cycloheptyloxyethyl)pyrido[2,3-b]pyrazin-6-amine?
The InChIKey is RLETXDVNXCOECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-2-4-6-13(5-3-1)21-12-11-18-15-8-7-14-16(20-15)19-10-9-17-14/h7-10,13H,1-6,11-12H2,(H,18,19,20).
What are the key properties of N-(2-cycloheptyloxyethyl)pyrido[2,3-b]pyrazin-6-amine?
N-(2-cycloheptyloxyethyl)pyrido[2,3-b]pyrazin-6-amine has a molecular weight of 286.38 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cycloheptyloxyethyl)pyrido[2,3-b]pyrazin-6-amine is sourced from PubChem (CID 133308532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).