2-amino-N-(3-bromo-2-methylphenyl)-6-propylpyridine-4-carboxamide

C16H18BrN3O — CID 107631129

IUPAC2-amino-N-(3-bromo-2-methylphenyl)-6-propylpyridine-4-carboxamide
SMILESCCCc1cc(C(=O)Nc2cccc(Br)c2C)cc(N)n1
InChIInChI=1S/C16H18BrN3O/c1-3-5-12-8-11(9-15(18)19-12)16(21)20-14-7-4-6-13(17)10(14)2/h4,6-9H,3,5H2,1-2H3,(H2,18,19)(H,20,21)
InChIKeyTXUNGYPTXDHVFP-UHFFFAOYSA-N
MW348.24 g/mol
LogP3.94
Rot. Bonds4

About 2-amino-N-(3-bromo-2-methylphenyl)-6-propylpyridine-4-carboxamide

2-amino-N-(3-bromo-2-methylphenyl)-6-propylpyridine-4-carboxamide (PubChem CID 107631129) has the molecular formula C16H18BrN3O and a molecular weight of 348.24 g/mol. Its IUPAC name is 2-amino-N-(3-bromo-2-methylphenyl)-6-propylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(3-bromo-2-methylphenyl)-6-propylpyridine-4-carboxamide
PubChem CID107631129
Molecular FormulaC16H18BrN3O
Molecular Weight348.24 g/mol
Exact Mass347.06
IUPAC Name2-amino-N-(3-bromo-2-methylphenyl)-6-propylpyridine-4-carboxamide
SMILESCCCc1cc(C(=O)Nc2cccc(Br)c2C)cc(N)n1
InChIInChI=1S/C16H18BrN3O/c1-3-5-12-8-11(9-15(18)19-12)16(21)20-14-7-4-6-13(17)10(14)2/h4,6-9H,3,5H2,1-2H3,(H2,18,19)(H,20,21)
InChIKeyTXUNGYPTXDHVFP-UHFFFAOYSA-N
XLogP3.94
TPSA68.01 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 ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-N-(3-bromo-2-methylphenyl)pyridine-3-carboxamide
CID 107630962
3-amino-N-(3-bromo-2-methylphenyl)-5-ethoxybenzamide
CID 107623961
N-(3-bromo-2-methylphenyl)-4-(propylamino)benzamide
CID 107630943
N-(3-bromo-2-methylphenyl)-3,5-dichlorobenzamide
CID 107640531
2-amino-N-(6-oxo-1H-pyridazin-3-yl)-6-propylpyridine-4-carboxamide
CID 116788000
2-amino-N-(2-bromo-5-fluorophenyl)-6-ethylpyridine-4-carboxamide
CID 107631716
4-amino-N-(3-bromo-2-methylphenyl)-3-chlorobenzamide
CID 107623927
2-amino-N-(3-methylpentan-3-yl)-6-propylpyridine-4-carboxamide
CID 106331239
N-(3-bromo-2-methylphenyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide
CID 107629541
2-amino-N-(2-bromo-4-cyanophenyl)-6-ethylpyridine-4-carboxamide
CID 107793724
N-(3-bromo-2-methylphenyl)-3,5-difluoro-4-(methylamino)benzamide
CID 107631048
3-bromo-N-(3-bromo-2-methylphenyl)-5-nitrobenzamide
CID 107640528

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-bromo-2-methylphenyl)-6-propylpyridine-4-carboxamide?
The IUPAC name of 2-amino-N-(3-bromo-2-methylphenyl)-6-propylpyridine-4-carboxamide (CID 107631129) is 2-amino-N-(3-bromo-2-methylphenyl)-6-propylpyridine-4-carboxamide.
What is the SMILES notation for 2-amino-N-(3-bromo-2-methylphenyl)-6-propylpyridine-4-carboxamide?
The canonical SMILES for 2-amino-N-(3-bromo-2-methylphenyl)-6-propylpyridine-4-carboxamide is CCCc1cc(C(=O)Nc2cccc(Br)c2C)cc(N)n1.
What is the InChIKey of 2-amino-N-(3-bromo-2-methylphenyl)-6-propylpyridine-4-carboxamide?
The InChIKey is TXUNGYPTXDHVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O/c1-3-5-12-8-11(9-15(18)19-12)16(21)20-14-7-4-6-13(17)10(14)2/h4,6-9H,3,5H2,1-2H3,(H2,18,19)(H,20,21).
What are the key properties of 2-amino-N-(3-bromo-2-methylphenyl)-6-propylpyridine-4-carboxamide?
2-amino-N-(3-bromo-2-methylphenyl)-6-propylpyridine-4-carboxamide has a molecular weight of 348.24 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-bromo-2-methylphenyl)-6-propylpyridine-4-carboxamide is sourced from PubChem (CID 107631129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).