N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-3-(4-methylphenyl)thiophene-2-carboxamide

C25H19N3O2S — CID 55764190

IUPACN-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-3-(4-methylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(-c2ccsc2C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1
InChIInChI=1S/C25H19N3O2S/c1-16-5-7-18(8-6-16)21-11-13-31-23(21)24(29)28-22-10-9-20(14-17(22)2)30-25-19(15-26)4-3-12-27-25/h3-14H,1-2H3,(H,28,29)
InChIKeyLOLHURZJRWJEIW-UHFFFAOYSA-N
MW425.51 g/mol
LogP6.34
Rot. Bonds5

About N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-3-(4-methylphenyl)thiophene-2-carboxamide

N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-3-(4-methylphenyl)thiophene-2-carboxamide (PubChem CID 55764190) has the molecular formula C25H19N3O2S and a molecular weight of 425.51 g/mol. Its IUPAC name is N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-3-(4-methylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-3-(4-methylphenyl)thiophene-2-carboxamide
PubChem CID55764190
Molecular FormulaC25H19N3O2S
Molecular Weight425.51 g/mol
Exact Mass425.12
IUPAC NameN-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-3-(4-methylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(-c2ccsc2C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1
InChIInChI=1S/C25H19N3O2S/c1-16-5-7-18(8-6-16)21-11-13-31-23(21)24(29)28-22-10-9-20(14-17(22)2)30-25-19(15-26)4-3-12-27-25/h3-14H,1-2H3,(H,28,29)
InChIKeyLOLHURZJRWJEIW-UHFFFAOYSA-N
XLogP6.34
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.51
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-ethyl-1,3-thiazole-5-carboxamide
CID 48576700
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-4-propan-2-yloxybenzamide
CID 46428427
2-(3-chlorophenyl)-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-1,3-thiazole-4-carboxamide
CID 60545133
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 51114372
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide
CID 167915628
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-4,4,4-trifluorobutanamide
CID 122142915
5-bromo-2-chloro-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]pyridine-3-carboxamide
CID 71934594
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-[2-(dimethylamino)-2-oxoethoxy]benzamide
CID 46428399
7-chloro-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-1,3-benzodioxole-5-carboxamide
CID 55647529
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-(3,4-dichlorophenoxy)acetamide
CID 55763946
3-(2-chlorophenyl)-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]propanamide
CID 55763808
N-[4-[2-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylanilino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 55763997

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-3-(4-methylphenyl)thiophene-2-carboxamide?
The IUPAC name of N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-3-(4-methylphenyl)thiophene-2-carboxamide (CID 55764190) is N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-3-(4-methylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-3-(4-methylphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-3-(4-methylphenyl)thiophene-2-carboxamide is Cc1ccc(-c2ccsc2C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)cc1.
What is the InChIKey of N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-3-(4-methylphenyl)thiophene-2-carboxamide?
The InChIKey is LOLHURZJRWJEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O2S/c1-16-5-7-18(8-6-16)21-11-13-31-23(21)24(29)28-22-10-9-20(14-17(22)2)30-25-19(15-26)4-3-12-27-25/h3-14H,1-2H3,(H,28,29).
What are the key properties of N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-3-(4-methylphenyl)thiophene-2-carboxamide?
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-3-(4-methylphenyl)thiophene-2-carboxamide has a molecular weight of 425.51 g/mol, XLogP of 6.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-3-(4-methylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 55764190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).