4-bromo-5-methyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide

C15H14BrN3O — CID 10592646

IUPAC4-bromo-5-methyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide
SMILESCc1ccc2c(c1Br)CCN2C(=O)Nc1cccnc1
InChIInChI=1S/C15H14BrN3O/c1-10-4-5-13-12(14(10)16)6-8-19(13)15(20)18-11-3-2-7-17-9-11/h2-5,7,9H,6,8H2,1H3,(H,18,20)
InChIKeyNLNBNROVVZQUSP-UHFFFAOYSA-N
MW332.20 g/mol
LogP3.75
Rot. Bonds1

About 4-bromo-5-methyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide

4-bromo-5-methyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide (PubChem CID 10592646) has the molecular formula C15H14BrN3O and a molecular weight of 332.20 g/mol. Its IUPAC name is 4-bromo-5-methyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name4-bromo-5-methyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide
PubChem CID10592646
Molecular FormulaC15H14BrN3O
Molecular Weight332.20 g/mol
Exact Mass331.03
IUPAC Name4-bromo-5-methyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide
SMILESCc1ccc2c(c1Br)CCN2C(=O)Nc1cccnc1
InChIInChI=1S/C15H14BrN3O/c1-10-4-5-13-12(14(10)16)6-8-19(13)15(20)18-11-3-2-7-17-9-11/h2-5,7,9H,6,8H2,1H3,(H,18,20)
InChIKeyNLNBNROVVZQUSP-UHFFFAOYSA-N
XLogP3.75
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-methyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 4-bromo-5-methyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide (CID 10592646) is 4-bromo-5-methyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 4-bromo-5-methyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 4-bromo-5-methyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide is Cc1ccc2c(c1Br)CCN2C(=O)Nc1cccnc1.
What is the InChIKey of 4-bromo-5-methyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide?
The InChIKey is NLNBNROVVZQUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O/c1-10-4-5-13-12(14(10)16)6-8-19(13)15(20)18-11-3-2-7-17-9-11/h2-5,7,9H,6,8H2,1H3,(H,18,20).
What are the key properties of 4-bromo-5-methyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide?
4-bromo-5-methyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide has a molecular weight of 332.20 g/mol, XLogP of 3.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-methyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 10592646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).