(E)-2-methyl-3-phenyl-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-6-yl]prop-2-enamide

C24H21N3O2 — CID 110303995

IUPAC(E)-2-methyl-3-phenyl-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-6-yl]prop-2-enamide
SMILESC/C(=C\c1ccccc1)C(=O)Nc1ccc2c(c1)N(C(=O)c1cccnc1)CC2
InChIInChI=1S/C24H21N3O2/c1-17(14-18-6-3-2-4-7-18)23(28)26-21-10-9-19-11-13-27(22(19)15-21)24(29)20-8-5-12-25-16-20/h2-10,12,14-16H,11,13H2,1H3,(H,26,28)/b17-14+
InChIKeyKIRXODCWBSRAIZ-SAPNQHFASA-N
MW383.45 g/mol
LogP4.33
Rot. Bonds4

About (E)-2-methyl-3-phenyl-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-6-yl]prop-2-enamide

(E)-2-methyl-3-phenyl-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-6-yl]prop-2-enamide (PubChem CID 110303995) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is (E)-2-methyl-3-phenyl-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-6-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-2-methyl-3-phenyl-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-6-yl]prop-2-enamide
PubChem CID110303995
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC Name(E)-2-methyl-3-phenyl-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-6-yl]prop-2-enamide
SMILESC/C(=C\c1ccccc1)C(=O)Nc1ccc2c(c1)N(C(=O)c1cccnc1)CC2
InChIInChI=1S/C24H21N3O2/c1-17(14-18-6-3-2-4-7-18)23(28)26-21-10-9-19-11-13-27(22(19)15-21)24(29)20-8-5-12-25-16-20/h2-10,12,14-16H,11,13H2,1H3,(H,26,28)/b17-14+
InChIKeyKIRXODCWBSRAIZ-SAPNQHFASA-N
XLogP4.33
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-oxo-2-[[1-(pyridine-3-carbonyl)-2,3-dihydroindol-6-yl]amino]acetate
CID 112506255
N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-6-yl]pyridine-4-carboxamide
CID 112506253
2-amino-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-6-yl]acetamide
CID 22689805
2-cyclopropyl-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-6-yl]propanamide
CID 110623614
1-butan-2-yl-3-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-6-yl]urea
CID 110623609
1-(2-methoxyethyl)-3-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-6-yl]urea
CID 110303998
(2S)-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-6-yl]oxolane-2-carboxamide
CID 42344151
1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-phenylurea
CID 46384404
2-amino-2-methyl-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]propanamide
CID 119888320
6-oxo-N-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-1H-pyridine-3-carboxamide
CID 110623360
cis-(1R,3S)-2,2-dimethyl-3-[[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 95391406
1-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone
CID 110737710

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-3-phenyl-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-6-yl]prop-2-enamide?
The IUPAC name of (E)-2-methyl-3-phenyl-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-6-yl]prop-2-enamide (CID 110303995) is (E)-2-methyl-3-phenyl-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-6-yl]prop-2-enamide.
What is the SMILES notation for (E)-2-methyl-3-phenyl-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-6-yl]prop-2-enamide?
The canonical SMILES for (E)-2-methyl-3-phenyl-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-6-yl]prop-2-enamide is C/C(=C\c1ccccc1)C(=O)Nc1ccc2c(c1)N(C(=O)c1cccnc1)CC2.
What is the InChIKey of (E)-2-methyl-3-phenyl-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-6-yl]prop-2-enamide?
The InChIKey is KIRXODCWBSRAIZ-SAPNQHFASA-N. The full InChI is InChI=1S/C24H21N3O2/c1-17(14-18-6-3-2-4-7-18)23(28)26-21-10-9-19-11-13-27(22(19)15-21)24(29)20-8-5-12-25-16-20/h2-10,12,14-16H,11,13H2,1H3,(H,26,28)/b17-14+.
What are the key properties of (E)-2-methyl-3-phenyl-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-6-yl]prop-2-enamide?
(E)-2-methyl-3-phenyl-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-6-yl]prop-2-enamide has a molecular weight of 383.45 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-3-phenyl-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-6-yl]prop-2-enamide is sourced from PubChem (CID 110303995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).