N-[4-[(4-aminonaphthalen-1-yl)oxymethyl]-2-pyridinyl]-6-ethylpyrazin-2-amine

C22H21N5O — CID 118305959

IUPACN-[4-[(4-aminonaphthalen-1-yl)oxymethyl]-2-pyridinyl]-6-ethylpyrazin-2-amine
SMILESCCc1cncc(Nc2cc(COc3ccc(N)c4ccccc34)ccn2)n1
InChIInChI=1S/C22H21N5O/c1-2-16-12-24-13-22(26-16)27-21-11-15(9-10-25-21)14-28-20-8-7-19(23)17-5-3-4-6-18(17)20/h3-13H,2,14,23H2,1H3,(H,25,26,27)
InChIKeyMMCBQZBJSONAPH-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.49
Rot. Bonds6

About N-[4-[(4-aminonaphthalen-1-yl)oxymethyl]-2-pyridinyl]-6-ethylpyrazin-2-amine

N-[4-[(4-aminonaphthalen-1-yl)oxymethyl]-2-pyridinyl]-6-ethylpyrazin-2-amine (PubChem CID 118305959) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[4-[(4-aminonaphthalen-1-yl)oxymethyl]-2-pyridinyl]-6-ethylpyrazin-2-amine.

Molecular Properties

Compound NameN-[4-[(4-aminonaphthalen-1-yl)oxymethyl]-2-pyridinyl]-6-ethylpyrazin-2-amine
PubChem CID118305959
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC NameN-[4-[(4-aminonaphthalen-1-yl)oxymethyl]-2-pyridinyl]-6-ethylpyrazin-2-amine
SMILESCCc1cncc(Nc2cc(COc3ccc(N)c4ccccc34)ccn2)n1
InChIInChI=1S/C22H21N5O/c1-2-16-12-24-13-22(26-16)27-21-11-15(9-10-25-21)14-28-20-8-7-19(23)17-5-3-4-6-18(17)20/h3-13H,2,14,23H2,1H3,(H,25,26,27)
InChIKeyMMCBQZBJSONAPH-UHFFFAOYSA-N
XLogP4.49
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.49
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

2-chloro-4-[(4-methylnaphthalen-1-yl)oxymethyl]pyridine;6-ethyl-N-[4-[(4-methylnaphthalen-1-yl)oxymethyl]-2-pyridinyl]pyrazin-2-amine;5-ethylpyridin-3-amine
CID 157053971
N-[4-[(4-methylnaphthalen-1-yl)oxymethyl]-2-pyridinyl]pyrazin-2-amine
CID 123408134
1-[4-[[2-[(6-ethylpyrazin-2-yl)amino]-4-pyridinyl]methoxy]naphthalen-1-yl]-3-[2-(4-methylphenyl)-5-oxo-1H-pyrazol-3-yl]urea
CID 129303982
1-[3-tert-butyl-1-(3,4-dimethylphenyl)pyrazol-5-yl]-3-[4-[[2-[(6-ethylpyrazin-2-yl)amino]-4-pyridinyl]methoxy]naphthalen-1-yl]urea
CID 118317551
bis((Z)-but-2-enedioic acid);bis(1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[[2-[(6-ethylpyrazin-2-yl)amino]-4-pyridinyl]methoxy]naphthalen-1-yl]urea)
CID 161304236
2-methyl-2-[6-[[4-[(4-nitronaphthalen-1-yl)oxymethyl]-2-pyridinyl]amino]pyrazin-2-yl]propanamide
CID 118309220
4-[(4-ethylphenyl)methoxy]naphthalen-1-amine
CID 63690640
bis[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-[[4-[[2-[(6-ethylpyrazin-2-yl)amino]-4-pyridinyl]methoxy]naphthalen-1-yl]carbamoyl]amino] (Z)-but-2-enedioate
CID 118305961
1-[3-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[[2-[[6-(2-methoxyethyl)pyrazin-2-yl]amino]-4-pyridinyl]methoxy]naphthalen-1-yl]urea
CID 118309353
1-[3-butyl-1-[4-(hydroxymethyl)phenyl]pyrazol-5-yl]-3-[4-[[2-[[6-(dimethylamino)pyrazin-2-yl]amino]-4-pyridinyl]methoxy]naphthalen-1-yl]urea
CID 118309247
4-[(3-chlorophenyl)methoxy]naphthalen-1-amine
CID 63690468
[4-[(2-ethylphenoxy)methyl]-2-pyridinyl]hydrazine
CID 62466463

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-aminonaphthalen-1-yl)oxymethyl]-2-pyridinyl]-6-ethylpyrazin-2-amine?
The IUPAC name of N-[4-[(4-aminonaphthalen-1-yl)oxymethyl]-2-pyridinyl]-6-ethylpyrazin-2-amine (CID 118305959) is N-[4-[(4-aminonaphthalen-1-yl)oxymethyl]-2-pyridinyl]-6-ethylpyrazin-2-amine.
What is the SMILES notation for N-[4-[(4-aminonaphthalen-1-yl)oxymethyl]-2-pyridinyl]-6-ethylpyrazin-2-amine?
The canonical SMILES for N-[4-[(4-aminonaphthalen-1-yl)oxymethyl]-2-pyridinyl]-6-ethylpyrazin-2-amine is CCc1cncc(Nc2cc(COc3ccc(N)c4ccccc34)ccn2)n1.
What is the InChIKey of N-[4-[(4-aminonaphthalen-1-yl)oxymethyl]-2-pyridinyl]-6-ethylpyrazin-2-amine?
The InChIKey is MMCBQZBJSONAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-2-16-12-24-13-22(26-16)27-21-11-15(9-10-25-21)14-28-20-8-7-19(23)17-5-3-4-6-18(17)20/h3-13H,2,14,23H2,1H3,(H,25,26,27).
What are the key properties of N-[4-[(4-aminonaphthalen-1-yl)oxymethyl]-2-pyridinyl]-6-ethylpyrazin-2-amine?
N-[4-[(4-aminonaphthalen-1-yl)oxymethyl]-2-pyridinyl]-6-ethylpyrazin-2-amine has a molecular weight of 371.44 g/mol, XLogP of 4.49, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-aminonaphthalen-1-yl)oxymethyl]-2-pyridinyl]-6-ethylpyrazin-2-amine is sourced from PubChem (CID 118305959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).