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

C47H46ClN7O2 — CID 157053971

IUPAC2-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
SMILESCCc1cncc(N)c1.CCc1cncc(Nc2cc(COc3ccc(C)c4ccccc34)ccn2)n1.Cc1ccc(OCc2ccnc(Cl)c2)c2ccccc12
InChIInChI=1S/C23H22N4O.C17H14ClNO.C7H10N2/c1-3-18-13-24-14-23(26-18)27-22-12-17(10-11-25-22)15-28-21-9-8-16(2)19-6-4-5-7-20(19)21;1-12-6-7-16(15-5-3-2-4-14(12)15)20-11-13-8-9-19-17(18)10-13;1-2-6-3-7(8)5-9-4-6/h4-14H,3,15H2,1-2H3,(H,25,26,27);2-10H,11H2,1H3;3-5H,2,8H2,1H3
InChIKeyAANMAXWKIMBTTJ-UHFFFAOYSA-N
MW776.38 g/mol
LogP11.22
Rot. Bonds10

About 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

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 (PubChem CID 157053971) has the molecular formula C47H46ClN7O2 and a molecular weight of 776.38 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID157053971
Molecular FormulaC47H46ClN7O2
Molecular Weight776.38 g/mol
Exact Mass775.34
IUPAC Name2-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
SMILESCCc1cncc(N)c1.CCc1cncc(Nc2cc(COc3ccc(C)c4ccccc34)ccn2)n1.Cc1ccc(OCc2ccnc(Cl)c2)c2ccccc12
InChIInChI=1S/C23H22N4O.C17H14ClNO.C7H10N2/c1-3-18-13-24-14-23(26-18)27-22-12-17(10-11-25-22)15-28-21-9-8-16(2)19-6-4-5-7-20(19)21;1-12-6-7-16(15-5-3-2-4-14(12)15)20-11-13-8-9-19-17(18)10-13;1-2-6-3-7(8)5-9-4-6/h4-14H,3,15H2,1-2H3,(H,25,26,27);2-10H,11H2,1H3;3-5H,2,8H2,1H3
InChIKeyAANMAXWKIMBTTJ-UHFFFAOYSA-N
XLogP11.22
TPSA120.96 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500776.38
LogP ≤ 511.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

N-[4-[(4-aminonaphthalen-1-yl)oxymethyl]-2-pyridinyl]-6-ethylpyrazin-2-amine
CID 118305959
N-[4-[(4-methylnaphthalen-1-yl)oxymethyl]-2-pyridinyl]pyrazin-2-amine
CID 123408134
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
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
2-chloro-4-[(4-chloronaphthalen-1-yl)oxymethyl]pyridine
CID 63480612
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
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
2-methyl-2-[6-[[4-[(4-nitronaphthalen-1-yl)oxymethyl]-2-pyridinyl]amino]pyrazin-2-yl]propanamide
CID 118309220
2-chloro-4-[(4-ethyl-2-methoxyphenoxy)methyl]pyridine
CID 113341586
2-[(2-chloro-4-pyridinyl)methoxy]aniline
CID 62469846
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
4-[(4-methylnaphthalen-1-yl)oxymethyl]pyridin-3-amine
CID 91296316

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1cncc(N)c1.CCc1cncc(Nc2cc(COc3ccc(C)c4ccccc34)ccn2)n1.Cc1ccc(OCc2ccnc(Cl)c2)c2ccccc12.
What is the InChIKey of 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?
The InChIKey is AANMAXWKIMBTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O.C17H14ClNO.C7H10N2/c1-3-18-13-24-14-23(26-18)27-22-12-17(10-11-25-22)15-28-21-9-8-16(2)19-6-4-5-7-20(19)21;1-12-6-7-16(15-5-3-2-4-14(12)15)20-11-13-8-9-19-17(18)10-13;1-2-6-3-7(8)5-9-4-6/h4-14H,3,15H2,1-2H3,(H,25,26,27);2-10H,11H2,1H3;3-5H,2,8H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 776.38 g/mol, XLogP of 11.22, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157053971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).