5-(4-bromo-3-methylanilino)-N,N-diethylpyridine-2-carboxamide

C17H20BrN3O — CID 109194687

IUPAC5-(4-bromo-3-methylanilino)-N,N-diethylpyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1ccc(Nc2ccc(Br)c(C)c2)cn1
InChIInChI=1S/C17H20BrN3O/c1-4-21(5-2)17(22)16-9-7-14(11-19-16)20-13-6-8-15(18)12(3)10-13/h6-11,20H,4-5H2,1-3H3
InChIKeyHRGHKFINWUBWAP-UHFFFAOYSA-N
MW362.27 g/mol
LogP4.38
Rot. Bonds5

About 5-(4-bromo-3-methylanilino)-N,N-diethylpyridine-2-carboxamide

5-(4-bromo-3-methylanilino)-N,N-diethylpyridine-2-carboxamide (PubChem CID 109194687) has the molecular formula C17H20BrN3O and a molecular weight of 362.27 g/mol. Its IUPAC name is 5-(4-bromo-3-methylanilino)-N,N-diethylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-(4-bromo-3-methylanilino)-N,N-diethylpyridine-2-carboxamide
PubChem CID109194687
Molecular FormulaC17H20BrN3O
Molecular Weight362.27 g/mol
Exact Mass361.08
IUPAC Name5-(4-bromo-3-methylanilino)-N,N-diethylpyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1ccc(Nc2ccc(Br)c(C)c2)cn1
InChIInChI=1S/C17H20BrN3O/c1-4-21(5-2)17(22)16-9-7-14(11-19-16)20-13-6-8-15(18)12(3)10-13/h6-11,20H,4-5H2,1-3H3
InChIKeyHRGHKFINWUBWAP-UHFFFAOYSA-N
XLogP4.38
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-bromoanilino)-N,N-diethylpyridine-2-carboxamide
CID 109194683
5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N,N-diethylpyridine-2-carboxamide
CID 109194689
5-[4-(dimethylamino)anilino]-N,N-diethylpyridine-2-carboxamide
CID 109194672
5-(4-bromo-3-methylanilino)-N,N-dipropylpyrazine-2-carboxamide
CID 109288979
5-(2,6-dichloroanilino)-N,N-diethylpyridine-2-carboxamide
CID 109194702
[5-(4-bromo-3-methylanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109181936
N,N-diethyl-5-hydrazinylpyridine-2-carboxamide
CID 104642323
5-anilino-N-(4-bromo-3-methylphenyl)pyridine-2-carboxamide
CID 109197124
N,N-diethyl-5-(2-fluoroanilino)pyridine-2-carboxamide
CID 109194634
3-N-(4-bromo-3-methylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide
CID 109106817
N,N-diethyl-5-(2,3,4-trifluoroanilino)pyridine-2-carboxamide
CID 109194712
CID 145466905
CID 145466905

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-3-methylanilino)-N,N-diethylpyridine-2-carboxamide?
The IUPAC name of 5-(4-bromo-3-methylanilino)-N,N-diethylpyridine-2-carboxamide (CID 109194687) is 5-(4-bromo-3-methylanilino)-N,N-diethylpyridine-2-carboxamide.
What is the SMILES notation for 5-(4-bromo-3-methylanilino)-N,N-diethylpyridine-2-carboxamide?
The canonical SMILES for 5-(4-bromo-3-methylanilino)-N,N-diethylpyridine-2-carboxamide is CCN(CC)C(=O)c1ccc(Nc2ccc(Br)c(C)c2)cn1.
What is the InChIKey of 5-(4-bromo-3-methylanilino)-N,N-diethylpyridine-2-carboxamide?
The InChIKey is HRGHKFINWUBWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3O/c1-4-21(5-2)17(22)16-9-7-14(11-19-16)20-13-6-8-15(18)12(3)10-13/h6-11,20H,4-5H2,1-3H3.
What are the key properties of 5-(4-bromo-3-methylanilino)-N,N-diethylpyridine-2-carboxamide?
5-(4-bromo-3-methylanilino)-N,N-diethylpyridine-2-carboxamide has a molecular weight of 362.27 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-3-methylanilino)-N,N-diethylpyridine-2-carboxamide is sourced from PubChem (CID 109194687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).