1-[(5-bromo-2-pyridinyl)methyl]-N-methyl-2,3-dihydroindole-2-carboxamide

C16H16BrN3O — CID 154744740

IUPAC1-[(5-bromo-2-pyridinyl)methyl]-N-methyl-2,3-dihydroindole-2-carboxamide
SMILESCNC(=O)C1Cc2ccccc2N1Cc1ccc(Br)cn1
InChIInChI=1S/C16H16BrN3O/c1-18-16(21)15-8-11-4-2-3-5-14(11)20(15)10-13-7-6-12(17)9-19-13/h2-7,9,15H,8,10H2,1H3,(H,18,21)
InChIKeyNBGHQYFEPVHGPL-UHFFFAOYSA-N
MW346.23 g/mol
LogP2.52
Rot. Bonds3

About 1-[(5-bromo-2-pyridinyl)methyl]-N-methyl-2,3-dihydroindole-2-carboxamide

1-[(5-bromo-2-pyridinyl)methyl]-N-methyl-2,3-dihydroindole-2-carboxamide (PubChem CID 154744740) has the molecular formula C16H16BrN3O and a molecular weight of 346.23 g/mol. Its IUPAC name is 1-[(5-bromo-2-pyridinyl)methyl]-N-methyl-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name1-[(5-bromo-2-pyridinyl)methyl]-N-methyl-2,3-dihydroindole-2-carboxamide
PubChem CID154744740
Molecular FormulaC16H16BrN3O
Molecular Weight346.23 g/mol
Exact Mass345.05
IUPAC Name1-[(5-bromo-2-pyridinyl)methyl]-N-methyl-2,3-dihydroindole-2-carboxamide
SMILESCNC(=O)C1Cc2ccccc2N1Cc1ccc(Br)cn1
InChIInChI=1S/C16H16BrN3O/c1-18-16(21)15-8-11-4-2-3-5-14(11)20(15)10-13-7-6-12(17)9-19-13/h2-7,9,15H,8,10H2,1H3,(H,18,21)
InChIKeyNBGHQYFEPVHGPL-UHFFFAOYSA-N
XLogP2.52
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.23
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chloro-1-methylpyrazol-3-yl)methyl]-N-methyl-2,3-dihydroindole-2-carboxamide
CID 138032837
(2R)-1-acetyl-N-methyl-2,3-dihydroindole-2-carboxamide
CID 40805370
1-[(5-bromo-2-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-3-amine
CID 104800894
(2S)-1-(cyclopropanecarbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide
CID 51474982
1-(cyclopropanecarbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide
CID 18587960
6-[(2-methyl-2,3-dihydroindol-1-yl)methyl]pyridin-3-ol
CID 82974751
1-(5-bromopyridine-2-carbonyl)-N-methylpyrrolidine-2-carboxamide
CID 62953067
(2R)-1-[2-(4-ethoxyphenoxy)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide
CID 41428952
methyl 1-benzyl-5-bromo-2,3-dihydroindole-2-carboxylate
CID 54545913
(2S)-2-N-methyl-1-N-(2-phenylethyl)-2,3-dihydroindole-1,2-dicarboxamide
CID 41232413
(2R)-N-methyl-1-(2-naphthalen-2-yloxyacetyl)-2,3-dihydroindole-2-carboxamide
CID 41428946
(2S)-1-[2-(4-ethoxyphenyl)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide
CID 41428965

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-pyridinyl)methyl]-N-methyl-2,3-dihydroindole-2-carboxamide?
The IUPAC name of 1-[(5-bromo-2-pyridinyl)methyl]-N-methyl-2,3-dihydroindole-2-carboxamide (CID 154744740) is 1-[(5-bromo-2-pyridinyl)methyl]-N-methyl-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for 1-[(5-bromo-2-pyridinyl)methyl]-N-methyl-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for 1-[(5-bromo-2-pyridinyl)methyl]-N-methyl-2,3-dihydroindole-2-carboxamide is CNC(=O)C1Cc2ccccc2N1Cc1ccc(Br)cn1.
What is the InChIKey of 1-[(5-bromo-2-pyridinyl)methyl]-N-methyl-2,3-dihydroindole-2-carboxamide?
The InChIKey is NBGHQYFEPVHGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O/c1-18-16(21)15-8-11-4-2-3-5-14(11)20(15)10-13-7-6-12(17)9-19-13/h2-7,9,15H,8,10H2,1H3,(H,18,21).
What are the key properties of 1-[(5-bromo-2-pyridinyl)methyl]-N-methyl-2,3-dihydroindole-2-carboxamide?
1-[(5-bromo-2-pyridinyl)methyl]-N-methyl-2,3-dihydroindole-2-carboxamide has a molecular weight of 346.23 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-pyridinyl)methyl]-N-methyl-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 154744740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).