1-prop-2-enyl-N-pyridin-2-ylindole-2-carboxamide

C17H15N3O — CID 86225735

IUPAC1-prop-2-enyl-N-pyridin-2-ylindole-2-carboxamide
SMILESC=CCn1c(C(=O)Nc2ccccn2)cc2ccccc21
InChIInChI=1S/C17H15N3O/c1-2-11-20-14-8-4-3-7-13(14)12-15(20)17(21)19-16-9-5-6-10-18-16/h2-10,12H,1,11H2,(H,18,19,21)
InChIKeyODSLVVZZXSOAOJ-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.47
Rot. Bonds4

About 1-prop-2-enyl-N-pyridin-2-ylindole-2-carboxamide

1-prop-2-enyl-N-pyridin-2-ylindole-2-carboxamide (PubChem CID 86225735) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 1-prop-2-enyl-N-pyridin-2-ylindole-2-carboxamide.

Molecular Properties

Compound Name1-prop-2-enyl-N-pyridin-2-ylindole-2-carboxamide
PubChem CID86225735
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name1-prop-2-enyl-N-pyridin-2-ylindole-2-carboxamide
SMILESC=CCn1c(C(=O)Nc2ccccn2)cc2ccccc21
InChIInChI=1S/C17H15N3O/c1-2-11-20-14-8-4-3-7-13(14)12-15(20)17(21)19-16-9-5-6-10-18-16/h2-10,12H,1,11H2,(H,18,19,21)
InChIKeyODSLVVZZXSOAOJ-UHFFFAOYSA-N
XLogP3.47
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-N-pyridin-2-ylindole-2-carboxamide?
The IUPAC name of 1-prop-2-enyl-N-pyridin-2-ylindole-2-carboxamide (CID 86225735) is 1-prop-2-enyl-N-pyridin-2-ylindole-2-carboxamide.
What is the SMILES notation for 1-prop-2-enyl-N-pyridin-2-ylindole-2-carboxamide?
The canonical SMILES for 1-prop-2-enyl-N-pyridin-2-ylindole-2-carboxamide is C=CCn1c(C(=O)Nc2ccccn2)cc2ccccc21.
What is the InChIKey of 1-prop-2-enyl-N-pyridin-2-ylindole-2-carboxamide?
The InChIKey is ODSLVVZZXSOAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-2-11-20-14-8-4-3-7-13(14)12-15(20)17(21)19-16-9-5-6-10-18-16/h2-10,12H,1,11H2,(H,18,19,21).
What are the key properties of 1-prop-2-enyl-N-pyridin-2-ylindole-2-carboxamide?
1-prop-2-enyl-N-pyridin-2-ylindole-2-carboxamide has a molecular weight of 277.33 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-N-pyridin-2-ylindole-2-carboxamide is sourced from PubChem (CID 86225735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).