(Z)-but-2-enedioic acid;N-[3-(2,3-dihydroindol-1-yl)-4-pyridinyl]acetamide

C19H19N3O5 — CID 67924334

IUPAC(Z)-but-2-enedioic acid;N-[3-(2,3-dihydroindol-1-yl)-4-pyridinyl]acetamide
SMILESCC(=O)Nc1ccncc1N1CCc2ccccc21.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C15H15N3O.C4H4O4/c1-11(19)17-13-6-8-16-10-15(13)18-9-7-12-4-2-3-5-14(12)18;5-3(6)1-2-4(7)8/h2-6,8,10H,7,9H2,1H3,(H,16,17,19);1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKeyPOQCCJGIIJRBMO-BTJKTKAUSA-N
MW369.38 g/mol
LogP2.45
Rot. Bonds4

About (Z)-but-2-enedioic acid;N-[3-(2,3-dihydroindol-1-yl)-4-pyridinyl]acetamide

(Z)-but-2-enedioic acid;N-[3-(2,3-dihydroindol-1-yl)-4-pyridinyl]acetamide (PubChem CID 67924334) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is (Z)-but-2-enedioic acid;N-[3-(2,3-dihydroindol-1-yl)-4-pyridinyl]acetamide.

Molecular Properties

Compound Name(Z)-but-2-enedioic acid;N-[3-(2,3-dihydroindol-1-yl)-4-pyridinyl]acetamide
PubChem CID67924334
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC Name(Z)-but-2-enedioic acid;N-[3-(2,3-dihydroindol-1-yl)-4-pyridinyl]acetamide
SMILESCC(=O)Nc1ccncc1N1CCc2ccccc21.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C15H15N3O.C4H4O4/c1-11(19)17-13-6-8-16-10-15(13)18-9-7-12-4-2-3-5-14(12)18;5-3(6)1-2-4(7)8/h2-6,8,10H,7,9H2,1H3,(H,16,17,19);1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKeyPOQCCJGIIJRBMO-BTJKTKAUSA-N
XLogP2.45
TPSA119.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(Z)-but-2-enedioic acid;N-[2-(2,3-dihydroindol-1-yl)phenyl]-4-methylpiperazine-1-carboxamide
CID 70406277
N-[2-(2,3-dihydroindol-1-yl)phenyl]pyrazine-2-carboxamide
CID 38748578
N-[4-[[4-(2,3-dihydroindol-1-yl)pyrimidin-2-yl]amino]phenyl]acetamide
CID 112902218
1-[4-(2,3-dihydroindol-1-yl)-3-pyridinyl]-N-methylmethanamine
CID 81248353
N-(3-acetamidophenyl)-5-(2,3-dihydroindol-1-yl)pyridine-3-carboxamide
CID 109242505
N-(3-acetamidophenyl)-5-(2,3-dihydroindol-1-yl)pyridine-2-carboxamide
CID 109197843
N-[[4-(2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 81248946
(2S)-N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-ethoxypropanamide
CID 95667067
(E)-N-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 38748758
N-(3-acetylphenyl)-5-(2,3-dihydroindol-1-yl)pyridine-3-carboxamide
CID 109242503
N-[6-(2,3-dihydroindol-1-yl)pyridazin-3-yl]pyridine-3-carboxamide
CID 113046065
N-(2-tert-butylphenyl)-2-(2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide
CID 109266156

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-enedioic acid;N-[3-(2,3-dihydroindol-1-yl)-4-pyridinyl]acetamide?
The IUPAC name of (Z)-but-2-enedioic acid;N-[3-(2,3-dihydroindol-1-yl)-4-pyridinyl]acetamide (CID 67924334) is (Z)-but-2-enedioic acid;N-[3-(2,3-dihydroindol-1-yl)-4-pyridinyl]acetamide.
What is the SMILES notation for (Z)-but-2-enedioic acid;N-[3-(2,3-dihydroindol-1-yl)-4-pyridinyl]acetamide?
The canonical SMILES for (Z)-but-2-enedioic acid;N-[3-(2,3-dihydroindol-1-yl)-4-pyridinyl]acetamide is CC(=O)Nc1ccncc1N1CCc2ccccc21.O=C(O)/C=C\C(=O)O.
What is the InChIKey of (Z)-but-2-enedioic acid;N-[3-(2,3-dihydroindol-1-yl)-4-pyridinyl]acetamide?
The InChIKey is POQCCJGIIJRBMO-BTJKTKAUSA-N. The full InChI is InChI=1S/C15H15N3O.C4H4O4/c1-11(19)17-13-6-8-16-10-15(13)18-9-7-12-4-2-3-5-14(12)18;5-3(6)1-2-4(7)8/h2-6,8,10H,7,9H2,1H3,(H,16,17,19);1-2H,(H,5,6)(H,7,8)/b;2-1-.
What are the key properties of (Z)-but-2-enedioic acid;N-[3-(2,3-dihydroindol-1-yl)-4-pyridinyl]acetamide?
(Z)-but-2-enedioic acid;N-[3-(2,3-dihydroindol-1-yl)-4-pyridinyl]acetamide has a molecular weight of 369.38 g/mol, XLogP of 2.45, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-enedioic acid;N-[3-(2,3-dihydroindol-1-yl)-4-pyridinyl]acetamide is sourced from PubChem (CID 67924334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).