6-(4-butoxy-3-methylphenyl)-4-(4-methylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-butoxyphenyl)-4-(5-ethylthiophen-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-[4-(dimethylamino)phenyl]-6-(4-hexoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-hexoxyphenyl)-4-(1-propan-2-ylpyrrol-3-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one

C101H112N18O8S — CID 161346548

IUPAC6-(4-butoxy-3-methylphenyl)-4-(4-methylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-butoxyphenyl)-4-(5-ethylthiophen-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-[4-(dimethylamino)phenyl]-6-(4-hexoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-hexoxyphenyl)-4-(1-propan-2-ylpyrrol-3-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one
SMILESCCCCCCOc1ccc(-c2cc(-c3ccc(N(C)C)cc3)c(-c3ncn[nH]3)c(=O)[nH]2)cc1.CCCCCCOc1ccc(-c2cc(-c3ccn(C(C)C)c3)c(-c3ncn[nH]3)c(=O)[nH]2)cc1.CCCCOc1ccc(-c2cc(-c3ccc(C)cc3)c(-c3ncn[nH]3)c(=O)[nH]2)cc1C.CCCCOc1ccc(-c2cc(-c3ccc(CC)s3)c(-c3ncn[nH]3)c(=O)[nH]2)cc1
InChIInChI=1S/C27H31N5O2.C26H31N5O2.C25H26N4O2.C23H24N4O2S/c1-4-5-6-7-16-34-22-14-10-20(11-15-22)24-17-23(19-8-12-21(13-9-19)32(2)3)25(27(33)30-24)26-28-18-29-31-26;1-4-5-6-7-14-33-21-10-8-19(9-11-21)23-15-22(20-12-13-31(16-20)18(2)3)24(26(32)29-23)25-27-17-28-30-25;1-4-5-12-31-22-11-10-19(13-17(22)3)21-14-20(18-8-6-16(2)7-9-18)23(25(30)28-21)24-26-15-27-29-24;1-3-5-12-29-16-8-6-15(7-9-16)19-13-18(20-11-10-17(4-2)30-20)21(23(28)26-19)22-24-14-25-27-22/h8-15,17-18H,4-7,16H2,1-3H3,(H,30,33)(H,28,29,31);8-13,15-18H,4-7,14H2,1-3H3,(H,29,32)(H,27,28,30);6-11,13-15H,4-5,12H2,1-3H3,(H,28,30)(H,26,27,29);6-11,13-14H,3-5,12H2,1-2H3,(H,26,28)(H,24,25,27)
InChIKeyVNJHPBPCHSMALN-UHFFFAOYSA-N
MW1738.19 g/mol
LogP21.94
Rot. Bonds35

About 6-(4-butoxy-3-methylphenyl)-4-(4-methylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-butoxyphenyl)-4-(5-ethylthiophen-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-[4-(dimethylamino)phenyl]-6-(4-hexoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-hexoxyphenyl)-4-(1-propan-2-ylpyrrol-3-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one

6-(4-butoxy-3-methylphenyl)-4-(4-methylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-butoxyphenyl)-4-(5-ethylthiophen-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-[4-(dimethylamino)phenyl]-6-(4-hexoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-hexoxyphenyl)-4-(1-propan-2-ylpyrrol-3-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one (PubChem CID 161346548) has the molecular formula C101H112N18O8S and a molecular weight of 1738.19 g/mol. Its IUPAC name is 6-(4-butoxy-3-methylphenyl)-4-(4-methylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-butoxyphenyl)-4-(5-ethylthiophen-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-[4-(dimethylamino)phenyl]-6-(4-hexoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-hexoxyphenyl)-4-(1-propan-2-ylpyrrol-3-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(4-butoxy-3-methylphenyl)-4-(4-methylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-butoxyphenyl)-4-(5-ethylthiophen-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-[4-(dimethylamino)phenyl]-6-(4-hexoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-hexoxyphenyl)-4-(1-propan-2-ylpyrrol-3-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one
PubChem CID161346548
Molecular FormulaC101H112N18O8S
Molecular Weight1738.19 g/mol
Exact Mass1736.86
IUPAC Name6-(4-butoxy-3-methylphenyl)-4-(4-methylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-butoxyphenyl)-4-(5-ethylthiophen-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-[4-(dimethylamino)phenyl]-6-(4-hexoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-hexoxyphenyl)-4-(1-propan-2-ylpyrrol-3-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one
SMILESCCCCCCOc1ccc(-c2cc(-c3ccc(N(C)C)cc3)c(-c3ncn[nH]3)c(=O)[nH]2)cc1.CCCCCCOc1ccc(-c2cc(-c3ccn(C(C)C)c3)c(-c3ncn[nH]3)c(=O)[nH]2)cc1.CCCCOc1ccc(-c2cc(-c3ccc(C)cc3)c(-c3ncn[nH]3)c(=O)[nH]2)cc1C.CCCCOc1ccc(-c2cc(-c3ccc(CC)s3)c(-c3ncn[nH]3)c(=O)[nH]2)cc1
InChIInChI=1S/C27H31N5O2.C26H31N5O2.C25H26N4O2.C23H24N4O2S/c1-4-5-6-7-16-34-22-14-10-20(11-15-22)24-17-23(19-8-12-21(13-9-19)32(2)3)25(27(33)30-24)26-28-18-29-31-26;1-4-5-6-7-14-33-21-10-8-19(9-11-21)23-15-22(20-12-13-31(16-20)18(2)3)24(26(32)29-23)25-27-17-28-30-25;1-4-5-12-31-22-11-10-19(13-17(22)3)21-14-20(18-8-6-16(2)7-9-18)23(25(30)28-21)24-26-15-27-29-24;1-3-5-12-29-16-8-6-15(7-9-16)19-13-18(20-11-10-17(4-2)30-20)21(23(28)26-19)22-24-14-25-27-22/h8-15,17-18H,4-7,16H2,1-3H3,(H,30,33)(H,28,29,31);8-13,15-18H,4-7,14H2,1-3H3,(H,29,32)(H,27,28,30);6-11,13-15H,4-5,12H2,1-3H3,(H,28,30)(H,26,27,29);6-11,13-14H,3-5,12H2,1-2H3,(H,26,28)(H,24,25,27)
InChIKeyVNJHPBPCHSMALN-UHFFFAOYSA-N
XLogP21.94
TPSA342.81 Ų
H-Bond Donors8
H-Bond Acceptors19
Rotatable Bonds35
Heavy Atoms128
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001738.19
LogP ≤ 521.94
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 6-(4-butoxy-3-methylphenyl)-4-(4-methylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-butoxyphenyl)-4-(5-ethylthiophen-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-[4-(dimethylamino)phenyl]-6-(4-hexoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-hexoxyphenyl)-4-(1-propan-2-ylpyrrol-3-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one with MolForge

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Related Compounds

4-[4-(dimethylamino)phenyl]-6-(4-hexoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one
CID 137226641
6-(4-butoxyphenyl)-4-(1-cyclopropylpyrazol-3-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-butoxyphenyl)-4-(1-propan-2-ylpyrazol-3-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-(1-ethylpyrazol-3-yl)-6-(4-hexoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one
CID 158820485
4-(5-ethylthiophen-2-yl)-6-[4-(4-propylcyclohexyl)phenyl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one
CID 137226690
4-(1-benzothiophen-2-yl)-6-(4-butoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-butoxyphenyl)-4-(4-tert-butylphenyl)-N-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide;6-(4-butoxyphenyl)-4-(4-tert-butylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-(5-cyclopropylthiophen-2-yl)-6-(4-pentoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one
CID 160662874
6-(4-butoxyphenyl)-4-[2-(dimethylamino)-1,3-thiazol-5-yl]-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one
CID 137226587
1-dodecoxy-4-[4-(4-dodecoxyphenyl)phenyl]-2-methylbenzene
CID 59593849
4-(5-ethylthiophen-2-yl)-3-(5-hydroxy-2,5-dihydrotetrazol-1-yl)-6-[4-(6,6,6-trifluorohexoxy)phenyl]-1H-pyridin-2-one
CID 134332674
N'-amino-4-[4-(dimethylamino)phenyl]-2-oxo-6-[4-(6,6,6-trifluorohexoxy)phenyl]-1H-pyridine-3-carboximidamide
CID 144977537
4-hexoxy-N,N-dimethylaniline
CID 19782341
4-[1-(cyclopropylmethyl)pyrazol-3-yl]-6-(4-hexoxyphenyl)-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one
CID 137226607
4-[5-[1,4-bis(2-ethylhexyl)-3-[4-[4-(N-(4-hexoxyphenyl)-4-methylanilino)phenyl]phenyl]-2,5-dioxopyrrolo[3,2-b]pyrrol-6-yl]thiophen-2-yl]benzaldehyde
CID 135297806
3-(4-octoxyphenyl)-5-[5-[3-(4-octoxyphenyl)-1H-pyrazol-5-yl]thiophen-2-yl]-1H-pyrazole
CID 132560374

Frequently Asked Questions

What is the IUPAC name of 6-(4-butoxy-3-methylphenyl)-4-(4-methylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-butoxyphenyl)-4-(5-ethylthiophen-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-[4-(dimethylamino)phenyl]-6-(4-hexoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-hexoxyphenyl)-4-(1-propan-2-ylpyrrol-3-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one?
The IUPAC name of 6-(4-butoxy-3-methylphenyl)-4-(4-methylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-butoxyphenyl)-4-(5-ethylthiophen-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-[4-(dimethylamino)phenyl]-6-(4-hexoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-hexoxyphenyl)-4-(1-propan-2-ylpyrrol-3-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one (CID 161346548) is 6-(4-butoxy-3-methylphenyl)-4-(4-methylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-butoxyphenyl)-4-(5-ethylthiophen-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-[4-(dimethylamino)phenyl]-6-(4-hexoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-hexoxyphenyl)-4-(1-propan-2-ylpyrrol-3-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one.
What is the SMILES notation for 6-(4-butoxy-3-methylphenyl)-4-(4-methylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-butoxyphenyl)-4-(5-ethylthiophen-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-[4-(dimethylamino)phenyl]-6-(4-hexoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-hexoxyphenyl)-4-(1-propan-2-ylpyrrol-3-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one?
The canonical SMILES for 6-(4-butoxy-3-methylphenyl)-4-(4-methylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-butoxyphenyl)-4-(5-ethylthiophen-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-[4-(dimethylamino)phenyl]-6-(4-hexoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-hexoxyphenyl)-4-(1-propan-2-ylpyrrol-3-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one is CCCCCCOc1ccc(-c2cc(-c3ccc(N(C)C)cc3)c(-c3ncn[nH]3)c(=O)[nH]2)cc1.CCCCCCOc1ccc(-c2cc(-c3ccn(C(C)C)c3)c(-c3ncn[nH]3)c(=O)[nH]2)cc1.CCCCOc1ccc(-c2cc(-c3ccc(C)cc3)c(-c3ncn[nH]3)c(=O)[nH]2)cc1C.CCCCOc1ccc(-c2cc(-c3ccc(CC)s3)c(-c3ncn[nH]3)c(=O)[nH]2)cc1.
What is the InChIKey of 6-(4-butoxy-3-methylphenyl)-4-(4-methylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-butoxyphenyl)-4-(5-ethylthiophen-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-[4-(dimethylamino)phenyl]-6-(4-hexoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-hexoxyphenyl)-4-(1-propan-2-ylpyrrol-3-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one?
The InChIKey is VNJHPBPCHSMALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O2.C26H31N5O2.C25H26N4O2.C23H24N4O2S/c1-4-5-6-7-16-34-22-14-10-20(11-15-22)24-17-23(19-8-12-21(13-9-19)32(2)3)25(27(33)30-24)26-28-18-29-31-26;1-4-5-6-7-14-33-21-10-8-19(9-11-21)23-15-22(20-12-13-31(16-20)18(2)3)24(26(32)29-23)25-27-17-28-30-25;1-4-5-12-31-22-11-10-19(13-17(22)3)21-14-20(18-8-6-16(2)7-9-18)23(25(30)28-21)24-26-15-27-29-24;1-3-5-12-29-16-8-6-15(7-9-16)19-13-18(20-11-10-17(4-2)30-20)21(23(28)26-19)22-24-14-25-27-22/h8-15,17-18H,4-7,16H2,1-3H3,(H,30,33)(H,28,29,31);8-13,15-18H,4-7,14H2,1-3H3,(H,29,32)(H,27,28,30);6-11,13-15H,4-5,12H2,1-3H3,(H,28,30)(H,26,27,29);6-11,13-14H,3-5,12H2,1-2H3,(H,26,28)(H,24,25,27).
What are the key properties of 6-(4-butoxy-3-methylphenyl)-4-(4-methylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-butoxyphenyl)-4-(5-ethylthiophen-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-[4-(dimethylamino)phenyl]-6-(4-hexoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-hexoxyphenyl)-4-(1-propan-2-ylpyrrol-3-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one?
6-(4-butoxy-3-methylphenyl)-4-(4-methylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-butoxyphenyl)-4-(5-ethylthiophen-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-[4-(dimethylamino)phenyl]-6-(4-hexoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-hexoxyphenyl)-4-(1-propan-2-ylpyrrol-3-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one has a molecular weight of 1738.19 g/mol, XLogP of 21.94, 35 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-butoxy-3-methylphenyl)-4-(4-methylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-butoxyphenyl)-4-(5-ethylthiophen-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-[4-(dimethylamino)phenyl]-6-(4-hexoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-hexoxyphenyl)-4-(1-propan-2-ylpyrrol-3-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one is sourced from PubChem (CID 161346548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).