4-ethyl-2-(3-ethylphenyl)pyridine;methane;2-(3-methyl-2H-imidazol-1-yl)pyrazine;1-methyl-3-pyrazin-2-yl-2H-benzimidazole;6-methylpyridine-2-carboxylate;1-methyl-3-pyridin-2-yl-2H-benzimidazole;pentane-2,4-diol;2-phenylpyridine;2-pyridin-3-ylpyrazine;2-pyridin-2-ylpyrimidine

C91H101N20O4- — CID 157381492

IUPAC4-ethyl-2-(3-ethylphenyl)pyridine;methane;2-(3-methyl-2H-imidazol-1-yl)pyrazine;1-methyl-3-pyrazin-2-yl-2H-benzimidazole;6-methylpyridine-2-carboxylate;1-methyl-3-pyridin-2-yl-2H-benzimidazole;pentane-2,4-diol;2-phenylpyridine;2-pyridin-3-ylpyrazine;2-pyridin-2-ylpyrimidine
SMILESC.C.CC(O)CC(C)O.CCc1cccc(-c2cc(CC)ccn2)c1.CN1C=CN(c2cnccn2)C1.CN1CN(c2ccccn2)c2ccccc21.CN1CN(c2cnccn2)c2ccccc21.Cc1cccc(C(=O)[O-])n1.c1ccc(-c2ccccn2)cc1.c1ccc(-c2ncccn2)nc1.c1cncc(-c2cnccn2)c1
InChIInChI=1S/C15H17N.C13H13N3.C12H12N4.C11H9N.2C9H7N3.C8H10N4.C7H7NO2.C5H12O2.2CH4/c1-3-12-6-5-7-14(10-12)15-11-13(4-2)8-9-16-15;1-15-10-16(13-8-4-5-9-14-13)12-7-3-2-6-11(12)15;1-15-9-16(12-8-13-6-7-14-12)11-5-3-2-4-10(11)15;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-2-5-10-8(4-1)9-11-6-3-7-12-9;1-2-8(6-10-3-1)9-7-11-4-5-12-9;1-11-4-5-12(7-11)8-6-9-2-3-10-8;1-5-3-2-4-6(8-5)7(9)10;1-4(6)3-5(2)7;;/h5-11H,3-4H2,1-2H3;2-9H,10H2,1H3;2-8H,9H2,1H3;1-9H;2*1-7H;2-6H,7H2,1H3;2-4H,1H3,(H,9,10);4-7H,3H2,1-2H3;2*1H4/p-1
InChIKeyMMWXTDUDPWXMGF-UHFFFAOYSA-M
MW1538.94 g/mol
LogP16.17
Rot. Bonds12

About 4-ethyl-2-(3-ethylphenyl)pyridine;methane;2-(3-methyl-2H-imidazol-1-yl)pyrazine;1-methyl-3-pyrazin-2-yl-2H-benzimidazole;6-methylpyridine-2-carboxylate;1-methyl-3-pyridin-2-yl-2H-benzimidazole;pentane-2,4-diol;2-phenylpyridine;2-pyridin-3-ylpyrazine;2-pyridin-2-ylpyrimidine

4-ethyl-2-(3-ethylphenyl)pyridine;methane;2-(3-methyl-2H-imidazol-1-yl)pyrazine;1-methyl-3-pyrazin-2-yl-2H-benzimidazole;6-methylpyridine-2-carboxylate;1-methyl-3-pyridin-2-yl-2H-benzimidazole;pentane-2,4-diol;2-phenylpyridine;2-pyridin-3-ylpyrazine;2-pyridin-2-ylpyrimidine (PubChem CID 157381492) has the molecular formula C91H101N20O4- and a molecular weight of 1538.94 g/mol. Its IUPAC name is 4-ethyl-2-(3-ethylphenyl)pyridine;methane;2-(3-methyl-2H-imidazol-1-yl)pyrazine;1-methyl-3-pyrazin-2-yl-2H-benzimidazole;6-methylpyridine-2-carboxylate;1-methyl-3-pyridin-2-yl-2H-benzimidazole;pentane-2,4-diol;2-phenylpyridine;2-pyridin-3-ylpyrazine;2-pyridin-2-ylpyrimidine.

Molecular Properties

Compound Name4-ethyl-2-(3-ethylphenyl)pyridine;methane;2-(3-methyl-2H-imidazol-1-yl)pyrazine;1-methyl-3-pyrazin-2-yl-2H-benzimidazole;6-methylpyridine-2-carboxylate;1-methyl-3-pyridin-2-yl-2H-benzimidazole;pentane-2,4-diol;2-phenylpyridine;2-pyridin-3-ylpyrazine;2-pyridin-2-ylpyrimidine
PubChem CID157381492
Molecular FormulaC91H101N20O4-
Molecular Weight1538.94 g/mol
Exact Mass1537.83
IUPAC Name4-ethyl-2-(3-ethylphenyl)pyridine;methane;2-(3-methyl-2H-imidazol-1-yl)pyrazine;1-methyl-3-pyrazin-2-yl-2H-benzimidazole;6-methylpyridine-2-carboxylate;1-methyl-3-pyridin-2-yl-2H-benzimidazole;pentane-2,4-diol;2-phenylpyridine;2-pyridin-3-ylpyrazine;2-pyridin-2-ylpyrimidine
SMILESC.C.CC(O)CC(C)O.CCc1cccc(-c2cc(CC)ccn2)c1.CN1C=CN(c2cnccn2)C1.CN1CN(c2ccccn2)c2ccccc21.CN1CN(c2cnccn2)c2ccccc21.Cc1cccc(C(=O)[O-])n1.c1ccc(-c2ccccn2)cc1.c1ccc(-c2ncccn2)nc1.c1cncc(-c2cnccn2)c1
InChIInChI=1S/C15H17N.C13H13N3.C12H12N4.C11H9N.2C9H7N3.C8H10N4.C7H7NO2.C5H12O2.2CH4/c1-3-12-6-5-7-14(10-12)15-11-13(4-2)8-9-16-15;1-15-10-16(13-8-4-5-9-14-13)12-7-3-2-6-11(12)15;1-15-9-16(12-8-13-6-7-14-12)11-5-3-2-4-10(11)15;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-2-5-10-8(4-1)9-11-6-3-7-12-9;1-2-8(6-10-3-1)9-7-11-4-5-12-9;1-11-4-5-12(7-11)8-6-9-2-3-10-8;1-5-3-2-4-6(8-5)7(9)10;1-4(6)3-5(2)7;;/h5-11H,3-4H2,1-2H3;2-9H,10H2,1H3;2-8H,9H2,1H3;1-9H;2*1-7H;2-6H,7H2,1H3;2-4H,1H3,(H,9,10);4-7H,3H2,1-2H3;2*1H4/p-1
InChIKeyMMWXTDUDPWXMGF-UHFFFAOYSA-M
XLogP16.17
TPSA280.49 Ų
H-Bond Donors2
H-Bond Acceptors24
Rotatable Bonds12
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001538.94
LogP ≤ 516.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1024

Analyze 4-ethyl-2-(3-ethylphenyl)pyridine;methane;2-(3-methyl-2H-imidazol-1-yl)pyrazine;1-methyl-3-pyrazin-2-yl-2H-benzimidazole;6-methylpyridine-2-carboxylate;1-methyl-3-pyridin-2-yl-2H-benzimidazole;pentane-2,4-diol;2-phenylpyridine;2-pyridin-3-ylpyrazine;2-pyridin-2-ylpyrimidine with MolForge

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Related Compounds

N,N-dibenzyl-3-(3,5-dimethylpyrazin-2-yl)benzene-4-id-1-amine;bis(3-(3,5-dimethylpyrazin-2-yl)-N-ethyl-N-methylbenzene-4-id-1-amine);tris(iridium);pentane-2,4-diol;pyridine-2-carboxylic acid;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 158093987
Bis(2-(2,4-difluorophenyl)-1-phenylbenzimidazole);iridium(3+);tris(pyridine-2-carboxylate)
CID 22336113
Bis(2-(2-fluorophenyl)-1-phenylbenzimidazole);iridium(3+);tris(pyridine-2-carboxylate)
CID 22336114
Bis(1,2-diphenylbenzimidazole);iridium(3+);tris(pyridine-2-carboxylate)
CID 22336115
Bis(2-(4-fluorophenyl)-1-phenylbenzimidazole);iridium(3+);tris(pyridine-2-carboxylate)
CID 22336116
Bis(2-(2,4-difluorophenyl)-1-methylbenzimidazole);iridium(3+);tris(pyridine-2-carboxylate)
CID 22336118
5-[2-[3,5-Bis[2-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]pyridine-2-carboxylic acid;iridium
CID 140838654
5-[2-[3-[2-(6-Carboxy-3-pyridinyl)phenyl]-5-[2-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]pyridine-2-carboxylic acid;iridium
CID 140838662
6-[1-(3,5-Dimethylphenyl)-2-indol-1-id-7-ylbenzimidazol-4-yl]pyridine-2-carboxylic acid;platinum
CID 145741523
4-(3,5-Dimethylphenyl)-6-[2-indol-1-id-7-yl-1-(3-phenylphenyl)benzimidazol-4-yl]pyridine-2-carboxylic acid;platinum
CID 145741535
6-(2-Indol-1-id-7-yl-1-phenylbenzimidazol-4-yl)-4-phenylpyridine-2-carboxylic acid;platinum
CID 145741558
4-(3,5-Dimethylphenyl)-6-[1-(3,5-dimethylphenyl)-2-indol-1-id-7-ylbenzimidazol-4-yl]pyridine-2-carboxylic acid;platinum
CID 145741566

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(3-ethylphenyl)pyridine;methane;2-(3-methyl-2H-imidazol-1-yl)pyrazine;1-methyl-3-pyrazin-2-yl-2H-benzimidazole;6-methylpyridine-2-carboxylate;1-methyl-3-pyridin-2-yl-2H-benzimidazole;pentane-2,4-diol;2-phenylpyridine;2-pyridin-3-ylpyrazine;2-pyridin-2-ylpyrimidine?
The IUPAC name of 4-ethyl-2-(3-ethylphenyl)pyridine;methane;2-(3-methyl-2H-imidazol-1-yl)pyrazine;1-methyl-3-pyrazin-2-yl-2H-benzimidazole;6-methylpyridine-2-carboxylate;1-methyl-3-pyridin-2-yl-2H-benzimidazole;pentane-2,4-diol;2-phenylpyridine;2-pyridin-3-ylpyrazine;2-pyridin-2-ylpyrimidine (CID 157381492) is 4-ethyl-2-(3-ethylphenyl)pyridine;methane;2-(3-methyl-2H-imidazol-1-yl)pyrazine;1-methyl-3-pyrazin-2-yl-2H-benzimidazole;6-methylpyridine-2-carboxylate;1-methyl-3-pyridin-2-yl-2H-benzimidazole;pentane-2,4-diol;2-phenylpyridine;2-pyridin-3-ylpyrazine;2-pyridin-2-ylpyrimidine.
What is the SMILES notation for 4-ethyl-2-(3-ethylphenyl)pyridine;methane;2-(3-methyl-2H-imidazol-1-yl)pyrazine;1-methyl-3-pyrazin-2-yl-2H-benzimidazole;6-methylpyridine-2-carboxylate;1-methyl-3-pyridin-2-yl-2H-benzimidazole;pentane-2,4-diol;2-phenylpyridine;2-pyridin-3-ylpyrazine;2-pyridin-2-ylpyrimidine?
The canonical SMILES for 4-ethyl-2-(3-ethylphenyl)pyridine;methane;2-(3-methyl-2H-imidazol-1-yl)pyrazine;1-methyl-3-pyrazin-2-yl-2H-benzimidazole;6-methylpyridine-2-carboxylate;1-methyl-3-pyridin-2-yl-2H-benzimidazole;pentane-2,4-diol;2-phenylpyridine;2-pyridin-3-ylpyrazine;2-pyridin-2-ylpyrimidine is C.C.CC(O)CC(C)O.CCc1cccc(-c2cc(CC)ccn2)c1.CN1C=CN(c2cnccn2)C1.CN1CN(c2ccccn2)c2ccccc21.CN1CN(c2cnccn2)c2ccccc21.Cc1cccc(C(=O)[O-])n1.c1ccc(-c2ccccn2)cc1.c1ccc(-c2ncccn2)nc1.c1cncc(-c2cnccn2)c1.
What is the InChIKey of 4-ethyl-2-(3-ethylphenyl)pyridine;methane;2-(3-methyl-2H-imidazol-1-yl)pyrazine;1-methyl-3-pyrazin-2-yl-2H-benzimidazole;6-methylpyridine-2-carboxylate;1-methyl-3-pyridin-2-yl-2H-benzimidazole;pentane-2,4-diol;2-phenylpyridine;2-pyridin-3-ylpyrazine;2-pyridin-2-ylpyrimidine?
The InChIKey is MMWXTDUDPWXMGF-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H17N.C13H13N3.C12H12N4.C11H9N.2C9H7N3.C8H10N4.C7H7NO2.C5H12O2.2CH4/c1-3-12-6-5-7-14(10-12)15-11-13(4-2)8-9-16-15;1-15-10-16(13-8-4-5-9-14-13)12-7-3-2-6-11(12)15;1-15-9-16(12-8-13-6-7-14-12)11-5-3-2-4-10(11)15;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-2-5-10-8(4-1)9-11-6-3-7-12-9;1-2-8(6-10-3-1)9-7-11-4-5-12-9;1-11-4-5-12(7-11)8-6-9-2-3-10-8;1-5-3-2-4-6(8-5)7(9)10;1-4(6)3-5(2)7;;/h5-11H,3-4H2,1-2H3;2-9H,10H2,1H3;2-8H,9H2,1H3;1-9H;2*1-7H;2-6H,7H2,1H3;2-4H,1H3,(H,9,10);4-7H,3H2,1-2H3;2*1H4/p-1.
What are the key properties of 4-ethyl-2-(3-ethylphenyl)pyridine;methane;2-(3-methyl-2H-imidazol-1-yl)pyrazine;1-methyl-3-pyrazin-2-yl-2H-benzimidazole;6-methylpyridine-2-carboxylate;1-methyl-3-pyridin-2-yl-2H-benzimidazole;pentane-2,4-diol;2-phenylpyridine;2-pyridin-3-ylpyrazine;2-pyridin-2-ylpyrimidine?
4-ethyl-2-(3-ethylphenyl)pyridine;methane;2-(3-methyl-2H-imidazol-1-yl)pyrazine;1-methyl-3-pyrazin-2-yl-2H-benzimidazole;6-methylpyridine-2-carboxylate;1-methyl-3-pyridin-2-yl-2H-benzimidazole;pentane-2,4-diol;2-phenylpyridine;2-pyridin-3-ylpyrazine;2-pyridin-2-ylpyrimidine has a molecular weight of 1538.94 g/mol, XLogP of 16.17, 12 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(3-ethylphenyl)pyridine;methane;2-(3-methyl-2H-imidazol-1-yl)pyrazine;1-methyl-3-pyrazin-2-yl-2H-benzimidazole;6-methylpyridine-2-carboxylate;1-methyl-3-pyridin-2-yl-2H-benzimidazole;pentane-2,4-diol;2-phenylpyridine;2-pyridin-3-ylpyrazine;2-pyridin-2-ylpyrimidine is sourced from PubChem (CID 157381492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).