N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-1H-indole-2-carboxamide

C20H19N3O — CID 90551749

IUPACN-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-1H-indole-2-carboxamide
SMILESCN(C)c1ccc(C#CCNC(=O)c2cc3ccccc3[nH]2)cc1
InChIInChI=1S/C20H19N3O/c1-23(2)17-11-9-15(10-12-17)6-5-13-21-20(24)19-14-16-7-3-4-8-18(16)22-19/h3-4,7-12,14,22H,13H2,1-2H3,(H,21,24)
InChIKeyKNRIJTQYTHVTTN-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.02
Rot. Bonds3

About N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-1H-indole-2-carboxamide

N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-1H-indole-2-carboxamide (PubChem CID 90551749) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-1H-indole-2-carboxamide
PubChem CID90551749
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC NameN-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-1H-indole-2-carboxamide
SMILESCN(C)c1ccc(C#CCNC(=O)c2cc3ccccc3[nH]2)cc1
InChIInChI=1S/C20H19N3O/c1-23(2)17-11-9-15(10-12-17)6-5-13-21-20(24)19-14-16-7-3-4-8-18(16)22-19/h3-4,7-12,14,22H,13H2,1-2H3,(H,21,24)
InChIKeyKNRIJTQYTHVTTN-UHFFFAOYSA-N
XLogP3.02
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(cyanomethyl)-1H-indole-2-carboxamide
CID 61260784
N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-oxo-1H-pyridine-3-carboxamide
CID 90551746
4-(dimethylamino)-N-[3-(4-fluorophenyl)prop-2-ynyl]benzamide
CID 90548264
N-(3-phenylprop-2-ynyl)-6-(trifluoromethoxy)-1H-indole-2-carboxamide
CID 87034067
N-[4-(2-fluorophenoxy)but-2-ynyl]-1H-indole-2-carboxamide
CID 90574335
[2-[4-(dimethylamino)anilino]-2-oxoethyl] 1H-indole-2-carboxylate
CID 7723461
N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-ethoxynaphthalene-1-carboxamide
CID 90551875
4-[3-[[4-(dimethylamino)benzoyl]amino]prop-1-ynyl]benzamide
CID 90549900
N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2,2-diphenylacetamide
CID 90551907
N-[2-(dimethylsulfamoyl)ethyl]-1H-indole-2-carboxamide
CID 106340710
N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-3-methoxybenzamide
CID 90551830
4,5-dichloro-N-(3-phenylprop-2-ynyl)-1H-pyrrole-2-carboxamide
CID 78836902

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-1H-indole-2-carboxamide (CID 90551749) is N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-1H-indole-2-carboxamide is CN(C)c1ccc(C#CCNC(=O)c2cc3ccccc3[nH]2)cc1.
What is the InChIKey of N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-1H-indole-2-carboxamide?
The InChIKey is KNRIJTQYTHVTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-23(2)17-11-9-15(10-12-17)6-5-13-21-20(24)19-14-16-7-3-4-8-18(16)22-19/h3-4,7-12,14,22H,13H2,1-2H3,(H,21,24).
What are the key properties of N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-1H-indole-2-carboxamide?
N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-1H-indole-2-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 90551749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).