N,1,3-trimethyl-N-(2-pyridin-4-ylethyl)indole-2-carboxamide

C19H21N3O — CID 113204375

IUPACN,1,3-trimethyl-N-(2-pyridin-4-ylethyl)indole-2-carboxamide
SMILESCc1c(C(=O)N(C)CCc2ccncc2)n(C)c2ccccc12
InChIInChI=1S/C19H21N3O/c1-14-16-6-4-5-7-17(16)22(3)18(14)19(23)21(2)13-10-15-8-11-20-12-9-15/h4-9,11-12H,10,13H2,1-3H3
InChIKeyVWVCBMRINPNTAU-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.20
Rot. Bonds4

About N,1,3-trimethyl-N-(2-pyridin-4-ylethyl)indole-2-carboxamide

N,1,3-trimethyl-N-(2-pyridin-4-ylethyl)indole-2-carboxamide (PubChem CID 113204375) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is N,1,3-trimethyl-N-(2-pyridin-4-ylethyl)indole-2-carboxamide.

Molecular Properties

Compound NameN,1,3-trimethyl-N-(2-pyridin-4-ylethyl)indole-2-carboxamide
PubChem CID113204375
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC NameN,1,3-trimethyl-N-(2-pyridin-4-ylethyl)indole-2-carboxamide
SMILESCc1c(C(=O)N(C)CCc2ccncc2)n(C)c2ccccc12
InChIInChI=1S/C19H21N3O/c1-14-16-6-4-5-7-17(16)22(3)18(14)19(23)21(2)13-10-15-8-11-20-12-9-15/h4-9,11-12H,10,13H2,1-3H3
InChIKeyVWVCBMRINPNTAU-UHFFFAOYSA-N
XLogP3.20
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N,1,3-trimethyl-N-(2-pyridin-4-ylethyl)pyrazole-5-carboxamide
CID 66123007
N,2-dimethyl-N-(2-pyridin-4-ylethyl)quinazoline-4-carboxamide
CID 110702828
N,2-dimethyl-5-oxo-4-phenyl-N-(2-pyridin-4-ylethyl)-1,2-oxazole-3-carboxamide
CID 110680867
N,1,3-trimethyl-N-(2-pyridin-4-ylethyl)pyrazole-4-carboxamide
CID 110852590
N,1,2-trimethyl-N-(2-pyridin-4-ylethyl)benzimidazole-5-carboxamide
CID 110765803
N,3-dimethyl-N-(2-pyridin-4-ylethyl)furan-2-carboxamide
CID 110695643
4-amino-1-ethyl-N-methyl-N-(2-pyridin-4-ylethyl)pyrazole-5-carboxamide
CID 65357102
N'-benzyl-N,N'-dimethyl-N-(2-pyridin-4-ylethyl)oxamide
CID 108984872
1-N-butyl-1-N,4-N-dimethyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109048088
N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 110699109
N-methyl-N-(2-pyridin-4-ylethyl)-1,3-oxazole-4-carboxamide
CID 110689492
4-chloro-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 81226415

Frequently Asked Questions

What is the IUPAC name of N,1,3-trimethyl-N-(2-pyridin-4-ylethyl)indole-2-carboxamide?
The IUPAC name of N,1,3-trimethyl-N-(2-pyridin-4-ylethyl)indole-2-carboxamide (CID 113204375) is N,1,3-trimethyl-N-(2-pyridin-4-ylethyl)indole-2-carboxamide.
What is the SMILES notation for N,1,3-trimethyl-N-(2-pyridin-4-ylethyl)indole-2-carboxamide?
The canonical SMILES for N,1,3-trimethyl-N-(2-pyridin-4-ylethyl)indole-2-carboxamide is Cc1c(C(=O)N(C)CCc2ccncc2)n(C)c2ccccc12.
What is the InChIKey of N,1,3-trimethyl-N-(2-pyridin-4-ylethyl)indole-2-carboxamide?
The InChIKey is VWVCBMRINPNTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-14-16-6-4-5-7-17(16)22(3)18(14)19(23)21(2)13-10-15-8-11-20-12-9-15/h4-9,11-12H,10,13H2,1-3H3.
What are the key properties of N,1,3-trimethyl-N-(2-pyridin-4-ylethyl)indole-2-carboxamide?
N,1,3-trimethyl-N-(2-pyridin-4-ylethyl)indole-2-carboxamide has a molecular weight of 307.40 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,3-trimethyl-N-(2-pyridin-4-ylethyl)indole-2-carboxamide is sourced from PubChem (CID 113204375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).