N-[(4-cyanophenyl)methyl]-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide

C19H19N3O2 — CID 39859299

IUPACN-[(4-cyanophenyl)methyl]-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCc1c(C(=O)N(C)Cc2ccc(C#N)cc2)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C19H19N3O2/c1-12-17-15(4-3-5-16(17)23)21-18(12)19(24)22(2)11-14-8-6-13(10-20)7-9-14/h6-9,21H,3-5,11H2,1-2H3
InChIKeyQWCWYAXQESJBCH-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.99
Rot. Bonds3

About N-[(4-cyanophenyl)methyl]-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide

N-[(4-cyanophenyl)methyl]-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide (PubChem CID 39859299) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
PubChem CID39859299
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-[(4-cyanophenyl)methyl]-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCc1c(C(=O)N(C)Cc2ccc(C#N)cc2)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C19H19N3O2/c1-12-17-15(4-3-5-16(17)23)21-18(12)19(24)22(2)11-14-8-6-13(10-20)7-9-14/h6-9,21H,3-5,11H2,1-2H3
InChIKeyQWCWYAXQESJBCH-UHFFFAOYSA-N
XLogP2.99
TPSA76.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide (CID 39859299) is N-[(4-cyanophenyl)methyl]-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide is Cc1c(C(=O)N(C)Cc2ccc(C#N)cc2)[nH]c2c1C(=O)CCC2.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The InChIKey is QWCWYAXQESJBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-12-17-15(4-3-5-16(17)23)21-18(12)19(24)22(2)11-14-8-6-13(10-20)7-9-14/h6-9,21H,3-5,11H2,1-2H3.
What are the key properties of N-[(4-cyanophenyl)methyl]-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
N-[(4-cyanophenyl)methyl]-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide is sourced from PubChem (CID 39859299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).