5-(2-bromo-4-methylanilino)-N-butan-2-ylpyridine-3-carboxamide

C17H20BrN3O — CID 109225275

IUPAC5-(2-bromo-4-methylanilino)-N-butan-2-ylpyridine-3-carboxamide
SMILESCCC(C)NC(=O)c1cncc(Nc2ccc(C)cc2Br)c1
InChIInChI=1S/C17H20BrN3O/c1-4-12(3)20-17(22)13-8-14(10-19-9-13)21-16-6-5-11(2)7-15(16)18/h5-10,12,21H,4H2,1-3H3,(H,20,22)
InChIKeyJAVNZGAYCUTAEW-UHFFFAOYSA-N
MW362.27 g/mol
LogP4.42
Rot. Bonds5

About 5-(2-bromo-4-methylanilino)-N-butan-2-ylpyridine-3-carboxamide

5-(2-bromo-4-methylanilino)-N-butan-2-ylpyridine-3-carboxamide (PubChem CID 109225275) has the molecular formula C17H20BrN3O and a molecular weight of 362.27 g/mol. Its IUPAC name is 5-(2-bromo-4-methylanilino)-N-butan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-bromo-4-methylanilino)-N-butan-2-ylpyridine-3-carboxamide
PubChem CID109225275
Molecular FormulaC17H20BrN3O
Molecular Weight362.27 g/mol
Exact Mass361.08
IUPAC Name5-(2-bromo-4-methylanilino)-N-butan-2-ylpyridine-3-carboxamide
SMILESCCC(C)NC(=O)c1cncc(Nc2ccc(C)cc2Br)c1
InChIInChI=1S/C17H20BrN3O/c1-4-12(3)20-17(22)13-8-14(10-19-9-13)21-16-6-5-11(2)7-15(16)18/h5-10,12,21H,4H2,1-3H3,(H,20,22)
InChIKeyJAVNZGAYCUTAEW-UHFFFAOYSA-N
XLogP4.42
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-4-methylanilino)-N-butan-2-ylpyrimidine-5-carboxamide
CID 109248979
5-(2-bromo-4-methylanilino)-N-prop-2-enylpyridine-3-carboxamide
CID 109224111
N-butan-2-yl-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide
CID 109225219
N-butan-2-yl-5-(3-chloro-4-methylanilino)pyridine-3-carboxamide
CID 109225232
3-N-(2-bromo-4-methylphenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 109101490
N-butan-2-yl-5-(3,5-dichloroanilino)pyridine-3-carboxamide
CID 109225291
5-anilino-N-(2-bromo-4-methylphenyl)pyridine-3-carboxamide
CID 109241609
N-butan-2-yl-5-(tert-butylamino)pyridine-3-carboxamide
CID 109225186
N-butan-2-yl-5-(4-cyanoanilino)pyridine-3-carboxamide
CID 109225300
N-butan-2-yl-5-(3-methylbutylamino)pyridine-3-carboxamide
CID 109225189
5-(2-bromoanilino)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109242069
N-butan-2-yl-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109225134

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-4-methylanilino)-N-butan-2-ylpyridine-3-carboxamide?
The IUPAC name of 5-(2-bromo-4-methylanilino)-N-butan-2-ylpyridine-3-carboxamide (CID 109225275) is 5-(2-bromo-4-methylanilino)-N-butan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 5-(2-bromo-4-methylanilino)-N-butan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 5-(2-bromo-4-methylanilino)-N-butan-2-ylpyridine-3-carboxamide is CCC(C)NC(=O)c1cncc(Nc2ccc(C)cc2Br)c1.
What is the InChIKey of 5-(2-bromo-4-methylanilino)-N-butan-2-ylpyridine-3-carboxamide?
The InChIKey is JAVNZGAYCUTAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3O/c1-4-12(3)20-17(22)13-8-14(10-19-9-13)21-16-6-5-11(2)7-15(16)18/h5-10,12,21H,4H2,1-3H3,(H,20,22).
What are the key properties of 5-(2-bromo-4-methylanilino)-N-butan-2-ylpyridine-3-carboxamide?
5-(2-bromo-4-methylanilino)-N-butan-2-ylpyridine-3-carboxamide has a molecular weight of 362.27 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-4-methylanilino)-N-butan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 109225275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).