N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2,3-dimethyl-1H-indole-5-carboxamide

C24H20N4O2 — CID 51114372

IUPACN-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2,3-dimethyl-1H-indole-5-carboxamide
SMILESCc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc2[nH]c(C)c(C)c2c1
InChIInChI=1S/C24H20N4O2/c1-14-11-19(30-24-18(13-25)5-4-10-26-24)7-9-21(14)28-23(29)17-6-8-22-20(12-17)15(2)16(3)27-22/h4-12,27H,1-3H3,(H,28,29)
InChIKeyLLICDJXMEKWTES-UHFFFAOYSA-N
MW396.45 g/mol
LogP5.40
Rot. Bonds4

About N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2,3-dimethyl-1H-indole-5-carboxamide

N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2,3-dimethyl-1H-indole-5-carboxamide (PubChem CID 51114372) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2,3-dimethyl-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2,3-dimethyl-1H-indole-5-carboxamide
PubChem CID51114372
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC NameN-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2,3-dimethyl-1H-indole-5-carboxamide
SMILESCc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc2[nH]c(C)c(C)c2c1
InChIInChI=1S/C24H20N4O2/c1-14-11-19(30-24-18(13-25)5-4-10-26-24)7-9-21(14)28-23(29)17-6-8-22-20(12-17)15(2)16(3)27-22/h4-12,27H,1-3H3,(H,28,29)
InChIKeyLLICDJXMEKWTES-UHFFFAOYSA-N
XLogP5.40
TPSA90.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.45
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-4-propan-2-yloxybenzamide
CID 46428427
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]-2-ethyl-1,3-thiazole-5-carboxamide
CID 48576700
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-3-(4-methylphenyl)thiophene-2-carboxamide
CID 55764190
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
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
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-[2-(dimethylamino)-2-oxoethoxy]benzamide
CID 46428399
2-(3-chlorophenyl)-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-1,3-thiazole-4-carboxamide
CID 60545133
5-(tert-butylsulfamoyl)-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-methylbenzamide
CID 55763912
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-(2-nitrophenyl)acetamide
CID 55647504

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2,3-dimethyl-1H-indole-5-carboxamide?
The IUPAC name of N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2,3-dimethyl-1H-indole-5-carboxamide (CID 51114372) is N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2,3-dimethyl-1H-indole-5-carboxamide.
What is the SMILES notation for N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2,3-dimethyl-1H-indole-5-carboxamide?
The canonical SMILES for N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2,3-dimethyl-1H-indole-5-carboxamide is Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc2[nH]c(C)c(C)c2c1.
What is the InChIKey of N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2,3-dimethyl-1H-indole-5-carboxamide?
The InChIKey is LLICDJXMEKWTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2/c1-14-11-19(30-24-18(13-25)5-4-10-26-24)7-9-21(14)28-23(29)17-6-8-22-20(12-17)15(2)16(3)27-22/h4-12,27H,1-3H3,(H,28,29).
What are the key properties of N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2,3-dimethyl-1H-indole-5-carboxamide?
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2,3-dimethyl-1H-indole-5-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 5.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2,3-dimethyl-1H-indole-5-carboxamide is sourced from PubChem (CID 51114372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).