4-(2-methyl-2,3-dihydroindol-1-yl)-N-prop-2-enylpyridine-2-carboxamide

C18H19N3O — CID 109202250

IUPAC4-(2-methyl-2,3-dihydroindol-1-yl)-N-prop-2-enylpyridine-2-carboxamide
SMILESC=CCNC(=O)c1cc(N2c3ccccc3CC2C)ccn1
InChIInChI=1S/C18H19N3O/c1-3-9-20-18(22)16-12-15(8-10-19-16)21-13(2)11-14-6-4-5-7-17(14)21/h3-8,10,12-13H,1,9,11H2,2H3,(H,20,22)
InChIKeyVZFCKFVEFJURKK-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.08
Rot. Bonds4

About 4-(2-methyl-2,3-dihydroindol-1-yl)-N-prop-2-enylpyridine-2-carboxamide

4-(2-methyl-2,3-dihydroindol-1-yl)-N-prop-2-enylpyridine-2-carboxamide (PubChem CID 109202250) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-(2-methyl-2,3-dihydroindol-1-yl)-N-prop-2-enylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2-methyl-2,3-dihydroindol-1-yl)-N-prop-2-enylpyridine-2-carboxamide
PubChem CID109202250
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name4-(2-methyl-2,3-dihydroindol-1-yl)-N-prop-2-enylpyridine-2-carboxamide
SMILESC=CCNC(=O)c1cc(N2c3ccccc3CC2C)ccn1
InChIInChI=1S/C18H19N3O/c1-3-9-20-18(22)16-12-15(8-10-19-16)21-13(2)11-14-6-4-5-7-17(14)21/h3-8,10,12-13H,1,9,11H2,2H3,(H,20,22)
InChIKeyVZFCKFVEFJURKK-UHFFFAOYSA-N
XLogP3.08
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methyl-2,3-dihydroindol-1-yl)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210024
N-(furan-2-ylmethyl)-4-(2-methyl-2,3-dihydroindol-1-yl)pyridine-2-carboxamide
CID 109209427
N-[2-(2-fluorophenyl)ethyl]-4-(2-methyl-2,3-dihydroindol-1-yl)pyridine-2-carboxamide
CID 109214008
4-(4-phenylpiperazin-1-yl)-N-prop-2-enylpyridine-2-carboxamide
CID 109202122
4-(4-methylpiperazin-1-yl)-N-prop-2-enylpyridine-2-carboxamide
CID 109202089
3,4-dihydro-1H-isoquinolin-2-yl-[4-(2-methyl-2,3-dihydroindol-1-yl)-2-pyridinyl]methanone
CID 109213833
1-[2-(chloromethyl)-4-pyridinyl]-2-methyl-2,3-dihydroindole
CID 61254888
N-[[4-(2-methyl-2,3-dihydroindol-1-yl)-2-pyridinyl]methyl]propan-2-amine
CID 62286320
5-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-methylpropyl)pyridine-3-carboxamide
CID 109224902
2-(2-methyl-2,3-dihydroindol-1-yl)-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide
CID 109169666
N-[2-(dimethylamino)ethyl]-2-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
CID 109366315
4-(N-methylanilino)-N-prop-2-enylpyridine-2-carboxamide
CID 109202165

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-2,3-dihydroindol-1-yl)-N-prop-2-enylpyridine-2-carboxamide?
The IUPAC name of 4-(2-methyl-2,3-dihydroindol-1-yl)-N-prop-2-enylpyridine-2-carboxamide (CID 109202250) is 4-(2-methyl-2,3-dihydroindol-1-yl)-N-prop-2-enylpyridine-2-carboxamide.
What is the SMILES notation for 4-(2-methyl-2,3-dihydroindol-1-yl)-N-prop-2-enylpyridine-2-carboxamide?
The canonical SMILES for 4-(2-methyl-2,3-dihydroindol-1-yl)-N-prop-2-enylpyridine-2-carboxamide is C=CCNC(=O)c1cc(N2c3ccccc3CC2C)ccn1.
What is the InChIKey of 4-(2-methyl-2,3-dihydroindol-1-yl)-N-prop-2-enylpyridine-2-carboxamide?
The InChIKey is VZFCKFVEFJURKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-3-9-20-18(22)16-12-15(8-10-19-16)21-13(2)11-14-6-4-5-7-17(14)21/h3-8,10,12-13H,1,9,11H2,2H3,(H,20,22).
What are the key properties of 4-(2-methyl-2,3-dihydroindol-1-yl)-N-prop-2-enylpyridine-2-carboxamide?
4-(2-methyl-2,3-dihydroindol-1-yl)-N-prop-2-enylpyridine-2-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-2,3-dihydroindol-1-yl)-N-prop-2-enylpyridine-2-carboxamide is sourced from PubChem (CID 109202250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).