5-(2-bromoanilino)-N,N-diethylpyridine-2-carboxamide

C16H18BrN3O — CID 109194683

IUPAC5-(2-bromoanilino)-N,N-diethylpyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1ccc(Nc2ccccc2Br)cn1
InChIInChI=1S/C16H18BrN3O/c1-3-20(4-2)16(21)15-10-9-12(11-18-15)19-14-8-6-5-7-13(14)17/h5-11,19H,3-4H2,1-2H3
InChIKeySESDKNIHLFYJFI-UHFFFAOYSA-N
MW348.24 g/mol
LogP4.07
Rot. Bonds5

About 5-(2-bromoanilino)-N,N-diethylpyridine-2-carboxamide

5-(2-bromoanilino)-N,N-diethylpyridine-2-carboxamide (PubChem CID 109194683) has the molecular formula C16H18BrN3O and a molecular weight of 348.24 g/mol. Its IUPAC name is 5-(2-bromoanilino)-N,N-diethylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-(2-bromoanilino)-N,N-diethylpyridine-2-carboxamide
PubChem CID109194683
Molecular FormulaC16H18BrN3O
Molecular Weight348.24 g/mol
Exact Mass347.06
IUPAC Name5-(2-bromoanilino)-N,N-diethylpyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1ccc(Nc2ccccc2Br)cn1
InChIInChI=1S/C16H18BrN3O/c1-3-20(4-2)16(21)15-10-9-12(11-18-15)19-14-8-6-5-7-13(14)17/h5-11,19H,3-4H2,1-2H3
InChIKeySESDKNIHLFYJFI-UHFFFAOYSA-N
XLogP4.07
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-5-(2-fluoroanilino)pyridine-2-carboxamide
CID 109194634
5-(4-bromo-3-methylanilino)-N,N-diethylpyridine-2-carboxamide
CID 109194687
N,N-diethyl-5-(2,3,4-trifluoroanilino)pyridine-2-carboxamide
CID 109194712
5-(2,6-dichloroanilino)-N,N-diethylpyridine-2-carboxamide
CID 109194702
N,N-diethyl-5-hydrazinylpyridine-2-carboxamide
CID 104642323
5-[4-(dimethylamino)anilino]-N,N-diethylpyridine-2-carboxamide
CID 109194672
methyl 4-chloro-3-[[6-(diethylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109194670
5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N,N-diethylpyridine-2-carboxamide
CID 109194689
N-benzyl-5-(4-ethoxyanilino)-N-ethylpyridine-2-carboxamide
CID 109190758
N,N-diethyl-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191623
methyl N-[5-(2-bromoanilino)-2-pyridinyl]carbamate
CID 113035990
N-benzyl-5-(tert-butylamino)-N-ethylpyridine-2-carboxamide
CID 109190719

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromoanilino)-N,N-diethylpyridine-2-carboxamide?
The IUPAC name of 5-(2-bromoanilino)-N,N-diethylpyridine-2-carboxamide (CID 109194683) is 5-(2-bromoanilino)-N,N-diethylpyridine-2-carboxamide.
What is the SMILES notation for 5-(2-bromoanilino)-N,N-diethylpyridine-2-carboxamide?
The canonical SMILES for 5-(2-bromoanilino)-N,N-diethylpyridine-2-carboxamide is CCN(CC)C(=O)c1ccc(Nc2ccccc2Br)cn1.
What is the InChIKey of 5-(2-bromoanilino)-N,N-diethylpyridine-2-carboxamide?
The InChIKey is SESDKNIHLFYJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O/c1-3-20(4-2)16(21)15-10-9-12(11-18-15)19-14-8-6-5-7-13(14)17/h5-11,19H,3-4H2,1-2H3.
What are the key properties of 5-(2-bromoanilino)-N,N-diethylpyridine-2-carboxamide?
5-(2-bromoanilino)-N,N-diethylpyridine-2-carboxamide has a molecular weight of 348.24 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromoanilino)-N,N-diethylpyridine-2-carboxamide is sourced from PubChem (CID 109194683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).