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

C16H18BrN3O — CID 109223324

IUPAC5-(4-bromo-3-methylanilino)-N-propan-2-ylpyridine-3-carboxamide
SMILESCc1cc(Nc2cncc(C(=O)NC(C)C)c2)ccc1Br
InChIInChI=1S/C16H18BrN3O/c1-10(2)19-16(21)12-7-14(9-18-8-12)20-13-4-5-15(17)11(3)6-13/h4-10,20H,1-3H3,(H,19,21)
InChIKeyYAJZQSHOWPOCRY-UHFFFAOYSA-N
MW348.24 g/mol
LogP4.03
Rot. Bonds4

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

5-(4-bromo-3-methylanilino)-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 109223324) has the molecular formula C16H18BrN3O and a molecular weight of 348.24 g/mol. Its IUPAC name is 5-(4-bromo-3-methylanilino)-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-bromo-3-methylanilino)-N-propan-2-ylpyridine-3-carboxamide
PubChem CID109223324
Molecular FormulaC16H18BrN3O
Molecular Weight348.24 g/mol
Exact Mass347.06
IUPAC Name5-(4-bromo-3-methylanilino)-N-propan-2-ylpyridine-3-carboxamide
SMILESCc1cc(Nc2cncc(C(=O)NC(C)C)c2)ccc1Br
InChIInChI=1S/C16H18BrN3O/c1-10(2)19-16(21)12-7-14(9-18-8-12)20-13-4-5-15(17)11(3)6-13/h4-10,20H,1-3H3,(H,19,21)
InChIKeyYAJZQSHOWPOCRY-UHFFFAOYSA-N
XLogP4.03
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-(3-bromo-4-methylphenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 109101453
N-propan-2-yl-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide
CID 109223266
5-(4-bromo-3-methylanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109235030
N-(4-bromo-3-methylphenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide
CID 109225084
5-(3-cyanoanilino)-N-propan-2-ylpyridine-3-carboxamide
CID 109223348
5-(5-chloro-2-methylanilino)-N-propan-2-ylpyridine-3-carboxamide
CID 109223277
5-(3,4-dimethylanilino)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide
CID 109242892
N-(4-bromo-3-methylphenyl)-5-(tert-butylamino)pyridine-3-carboxamide
CID 109239465
N-butan-2-yl-5-(3-chloro-4-methylanilino)pyridine-3-carboxamide
CID 109225232
N-propan-2-yl-5-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide
CID 109223331
5-(4-bromoanilino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109232831
5-[(4-bromo-3-methylphenyl)carbamoylamino]pyridine-3-carboxylic acid
CID 63157521

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-3-methylanilino)-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 5-(4-bromo-3-methylanilino)-N-propan-2-ylpyridine-3-carboxamide (CID 109223324) is 5-(4-bromo-3-methylanilino)-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 5-(4-bromo-3-methylanilino)-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 5-(4-bromo-3-methylanilino)-N-propan-2-ylpyridine-3-carboxamide is Cc1cc(Nc2cncc(C(=O)NC(C)C)c2)ccc1Br.
What is the InChIKey of 5-(4-bromo-3-methylanilino)-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is YAJZQSHOWPOCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O/c1-10(2)19-16(21)12-7-14(9-18-8-12)20-13-4-5-15(17)11(3)6-13/h4-10,20H,1-3H3,(H,19,21).
What are the key properties of 5-(4-bromo-3-methylanilino)-N-propan-2-ylpyridine-3-carboxamide?
5-(4-bromo-3-methylanilino)-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 348.24 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-3-methylanilino)-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 109223324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).