2-bromo-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-4-carboxamide

C17H17BrN2O — CID 103754184

IUPAC2-bromo-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-4-carboxamide
SMILESCN(C(=O)c1ccnc(Br)c1)C1CCCc2ccccc21
InChIInChI=1S/C17H17BrN2O/c1-20(17(21)13-9-10-19-16(18)11-13)15-8-4-6-12-5-2-3-7-14(12)15/h2-3,5,7,9-11,15H,4,6,8H2,1H3
InChIKeyOXCZQQZXVNHUOM-UHFFFAOYSA-N
MW345.24 g/mol
LogP3.99
Rot. Bonds2

About 2-bromo-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-4-carboxamide

2-bromo-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-4-carboxamide (PubChem CID 103754184) has the molecular formula C17H17BrN2O and a molecular weight of 345.24 g/mol. Its IUPAC name is 2-bromo-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-4-carboxamide
PubChem CID103754184
Molecular FormulaC17H17BrN2O
Molecular Weight345.24 g/mol
Exact Mass344.05
IUPAC Name2-bromo-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-4-carboxamide
SMILESCN(C(=O)c1ccnc(Br)c1)C1CCCc2ccccc21
InChIInChI=1S/C17H17BrN2O/c1-20(17(21)13-9-10-19-16(18)11-13)15-8-4-6-12-5-2-3-7-14(12)15/h2-3,5,7,9-11,15H,4,6,8H2,1H3
InChIKeyOXCZQQZXVNHUOM-UHFFFAOYSA-N
XLogP3.99
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-4-carboxamide
CID 42916496
2-imidazol-1-yl-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide
CID 94816782
N-methyl-3-(pyrimidin-2-ylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 46589652
N,4-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 42884040
N,6-dimethyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-3-carboxamide
CID 31121176
3-(6-methoxypyridazin-3-yl)-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 125165313
N-methyl-3-nitro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 42916495
N,3-dimethyl-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinazoline-7-carboxamide
CID 70780313
N-methyl-2-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4-dihydro-1H-quinoline-6-carboxamide
CID 51724937
N-(2,3-dihydro-1H-inden-1-yl)-2-imidazol-1-yl-N-methylpyridine-4-carboxamide
CID 51085905
4-(dimethylsulfamoyl)-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 30875842
4-bromo-3-chloro-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide
CID 81295054

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-4-carboxamide?
The IUPAC name of 2-bromo-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-4-carboxamide (CID 103754184) is 2-bromo-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-bromo-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-4-carboxamide is CN(C(=O)c1ccnc(Br)c1)C1CCCc2ccccc21.
What is the InChIKey of 2-bromo-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-4-carboxamide?
The InChIKey is OXCZQQZXVNHUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O/c1-20(17(21)13-9-10-19-16(18)11-13)15-8-4-6-12-5-2-3-7-14(12)15/h2-3,5,7,9-11,15H,4,6,8H2,1H3.
What are the key properties of 2-bromo-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-4-carboxamide?
2-bromo-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-4-carboxamide has a molecular weight of 345.24 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 103754184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).