6-iodo-5-methyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide

C15H14IN3O — CID 10595858

IUPAC6-iodo-5-methyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide
SMILESCc1cc2c(cc1I)N(C(=O)Nc1cccnc1)CC2
InChIInChI=1S/C15H14IN3O/c1-10-7-11-4-6-19(14(11)8-13(10)16)15(20)18-12-3-2-5-17-9-12/h2-3,5,7-9H,4,6H2,1H3,(H,18,20)
InChIKeyJCRAEXACIZJAKA-UHFFFAOYSA-N
MW379.20 g/mol
LogP3.59
Rot. Bonds1

About 6-iodo-5-methyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide

6-iodo-5-methyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide (PubChem CID 10595858) has the molecular formula C15H14IN3O and a molecular weight of 379.20 g/mol. Its IUPAC name is 6-iodo-5-methyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name6-iodo-5-methyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide
PubChem CID10595858
Molecular FormulaC15H14IN3O
Molecular Weight379.20 g/mol
Exact Mass379.02
IUPAC Name6-iodo-5-methyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide
SMILESCc1cc2c(cc1I)N(C(=O)Nc1cccnc1)CC2
InChIInChI=1S/C15H14IN3O/c1-10-7-11-4-6-19(14(11)8-13(10)16)15(20)18-12-3-2-5-17-9-12/h2-3,5,7-9H,4,6H2,1H3,(H,18,20)
InChIKeyJCRAEXACIZJAKA-UHFFFAOYSA-N
XLogP3.59
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.20
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-iodo-5-methyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 6-iodo-5-methyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide (CID 10595858) is 6-iodo-5-methyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 6-iodo-5-methyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 6-iodo-5-methyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide is Cc1cc2c(cc1I)N(C(=O)Nc1cccnc1)CC2.
What is the InChIKey of 6-iodo-5-methyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide?
The InChIKey is JCRAEXACIZJAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14IN3O/c1-10-7-11-4-6-19(14(11)8-13(10)16)15(20)18-12-3-2-5-17-9-12/h2-3,5,7-9H,4,6H2,1H3,(H,18,20).
What are the key properties of 6-iodo-5-methyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide?
6-iodo-5-methyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide has a molecular weight of 379.20 g/mol, XLogP of 3.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-5-methyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 10595858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).