N-[(5-aminonaphthalen-2-yl)methyl]-5-(1-methylpiperidin-4-yl)oxypyrazin-2-amine

C21H25N5O — CID 167620641

IUPACN-[(5-aminonaphthalen-2-yl)methyl]-5-(1-methylpiperidin-4-yl)oxypyrazin-2-amine
SMILESCN1CCC(Oc2cnc(NCc3ccc4c(N)cccc4c3)cn2)CC1
InChIInChI=1S/C21H25N5O/c1-26-9-7-17(8-10-26)27-21-14-24-20(13-25-21)23-12-15-5-6-18-16(11-15)3-2-4-19(18)22/h2-6,11,13-14,17H,7-10,12,22H2,1H3,(H,23,24)
InChIKeyCIVQISRVKFXXPY-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.30
Rot. Bonds5

About N-[(5-aminonaphthalen-2-yl)methyl]-5-(1-methylpiperidin-4-yl)oxypyrazin-2-amine

N-[(5-aminonaphthalen-2-yl)methyl]-5-(1-methylpiperidin-4-yl)oxypyrazin-2-amine (PubChem CID 167620641) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is N-[(5-aminonaphthalen-2-yl)methyl]-5-(1-methylpiperidin-4-yl)oxypyrazin-2-amine.

Molecular Properties

Compound NameN-[(5-aminonaphthalen-2-yl)methyl]-5-(1-methylpiperidin-4-yl)oxypyrazin-2-amine
PubChem CID167620641
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC NameN-[(5-aminonaphthalen-2-yl)methyl]-5-(1-methylpiperidin-4-yl)oxypyrazin-2-amine
SMILESCN1CCC(Oc2cnc(NCc3ccc4c(N)cccc4c3)cn2)CC1
InChIInChI=1S/C21H25N5O/c1-26-9-7-17(8-10-26)27-21-14-24-20(13-25-21)23-12-15-5-6-18-16(11-15)3-2-4-19(18)22/h2-6,11,13-14,17H,7-10,12,22H2,1H3,(H,23,24)
InChIKeyCIVQISRVKFXXPY-UHFFFAOYSA-N
XLogP3.30
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-N-[(1-aminoisoquinolin-6-yl)methyl]-2-N-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]pyrazine-2,5-diamine
CID 166028313
2-methyl-N-[[5-(1-methylpiperidin-4-yl)oxypyrazin-2-yl]methyl]propan-2-amine
CID 107381292
1-[6-[(1-aminoisoquinolin-6-yl)methylamino]-2-pyridinyl]-3-(1-methylpiperidin-4-yl)propan-1-one
CID 167548640
2,6-dimethyl-N-[[5-(1-methylpiperidin-4-yl)oxypyrazin-2-yl]methyl]pyridin-3-amine
CID 90779927
N-[[5-(1-methylpiperidin-4-yl)oxypyrazin-2-yl]methyl]propan-2-amine
CID 107381290
N-methyl-6-(1-methylpiperidin-4-yl)oxypyridin-2-amine
CID 45097725
N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 154741235
CID 123670309
CID 123670309
6-[[[2-[[6-(oxan-4-yloxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine
CID 118482127
N-ethyl-2-methyl-6-(1-methylpiperidin-4-yl)oxypyrimidin-4-amine
CID 80873426
[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]methanamine;hydrochloride
CID 159598247
6-(1-methylpiperidin-4-yl)oxy-1H-indazol-3-amine
CID 126695915

Frequently Asked Questions

What is the IUPAC name of N-[(5-aminonaphthalen-2-yl)methyl]-5-(1-methylpiperidin-4-yl)oxypyrazin-2-amine?
The IUPAC name of N-[(5-aminonaphthalen-2-yl)methyl]-5-(1-methylpiperidin-4-yl)oxypyrazin-2-amine (CID 167620641) is N-[(5-aminonaphthalen-2-yl)methyl]-5-(1-methylpiperidin-4-yl)oxypyrazin-2-amine.
What is the SMILES notation for N-[(5-aminonaphthalen-2-yl)methyl]-5-(1-methylpiperidin-4-yl)oxypyrazin-2-amine?
The canonical SMILES for N-[(5-aminonaphthalen-2-yl)methyl]-5-(1-methylpiperidin-4-yl)oxypyrazin-2-amine is CN1CCC(Oc2cnc(NCc3ccc4c(N)cccc4c3)cn2)CC1.
What is the InChIKey of N-[(5-aminonaphthalen-2-yl)methyl]-5-(1-methylpiperidin-4-yl)oxypyrazin-2-amine?
The InChIKey is CIVQISRVKFXXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-26-9-7-17(8-10-26)27-21-14-24-20(13-25-21)23-12-15-5-6-18-16(11-15)3-2-4-19(18)22/h2-6,11,13-14,17H,7-10,12,22H2,1H3,(H,23,24).
What are the key properties of N-[(5-aminonaphthalen-2-yl)methyl]-5-(1-methylpiperidin-4-yl)oxypyrazin-2-amine?
N-[(5-aminonaphthalen-2-yl)methyl]-5-(1-methylpiperidin-4-yl)oxypyrazin-2-amine has a molecular weight of 363.47 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-aminonaphthalen-2-yl)methyl]-5-(1-methylpiperidin-4-yl)oxypyrazin-2-amine is sourced from PubChem (CID 167620641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).