N-(2,6-dimethylphenyl)-1H-indole-3-carboxamide

C17H16N2O — CID 1485567

IUPACN-(2,6-dimethylphenyl)-1H-indole-3-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C17H16N2O/c1-11-6-5-7-12(2)16(11)19-17(20)14-10-18-15-9-4-3-8-13(14)15/h3-10,18H,1-2H3,(H,19,20)
InChIKeyPEVPFRSWSLLAJZ-UHFFFAOYSA-N
MW264.33 g/mol
LogP4.04
Rot. Bonds2

About N-(2,6-dimethylphenyl)-1H-indole-3-carboxamide

N-(2,6-dimethylphenyl)-1H-indole-3-carboxamide (PubChem CID 1485567) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-1H-indole-3-carboxamide
PubChem CID1485567
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC NameN-(2,6-dimethylphenyl)-1H-indole-3-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C17H16N2O/c1-11-6-5-7-12(2)16(11)19-17(20)14-10-18-15-9-4-3-8-13(14)15/h3-10,18H,1-2H3,(H,19,20)
InChIKeyPEVPFRSWSLLAJZ-UHFFFAOYSA-N
XLogP4.04
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

Jwh 018
CID 10382701
(1-Butyl-1H-indol-3-yl)-1-naphthalenylmethanone
CID 10471670
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CID 10256
Indoramin
CID 33625
Frovatriptan
CID 77992
Jwh 122
CID 44466638
(4-Ethyl-1-naphthalenyl)(1-pentyl-1H-indol-3-yl)methanone
CID 45270396
AM 2201
CID 53393997
3-(1-(3-(Dimethylamino)propyl)-1H-indol-3-yl)-4-(1H-indol-3-yl)-1H-pyrrole-2,5-dione
CID 2396
Pruvanserin
CID 6433122
Indole-3-acetamide
CID 397
AM-694
CID 9889172

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-1H-indole-3-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-1H-indole-3-carboxamide (CID 1485567) is N-(2,6-dimethylphenyl)-1H-indole-3-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-1H-indole-3-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-1H-indole-3-carboxamide is Cc1cccc(C)c1NC(=O)c1c[nH]c2ccccc12.
What is the InChIKey of N-(2,6-dimethylphenyl)-1H-indole-3-carboxamide?
The InChIKey is PEVPFRSWSLLAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-11-6-5-7-12(2)16(11)19-17(20)14-10-18-15-9-4-3-8-13(14)15/h3-10,18H,1-2H3,(H,19,20).
What are the key properties of N-(2,6-dimethylphenyl)-1H-indole-3-carboxamide?
N-(2,6-dimethylphenyl)-1H-indole-3-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 4.04, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 1485567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).