N-(4-bromo-2,6-dimethylphenyl)-4-(ethylamino)pyridine-2-carboxamide

C16H18BrN3O — CID 62185216

IUPACN-(4-bromo-2,6-dimethylphenyl)-4-(ethylamino)pyridine-2-carboxamide
SMILESCCNc1ccnc(C(=O)Nc2c(C)cc(Br)cc2C)c1
InChIInChI=1S/C16H18BrN3O/c1-4-18-13-5-6-19-14(9-13)16(21)20-15-10(2)7-12(17)8-11(15)3/h5-9H,4H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyRRWDPIIDBZYZCQ-UHFFFAOYSA-N
MW348.24 g/mol
LogP4.15
Rot. Bonds4

About N-(4-bromo-2,6-dimethylphenyl)-4-(ethylamino)pyridine-2-carboxamide

N-(4-bromo-2,6-dimethylphenyl)-4-(ethylamino)pyridine-2-carboxamide (PubChem CID 62185216) has the molecular formula C16H18BrN3O and a molecular weight of 348.24 g/mol. Its IUPAC name is N-(4-bromo-2,6-dimethylphenyl)-4-(ethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-dimethylphenyl)-4-(ethylamino)pyridine-2-carboxamide
PubChem CID62185216
Molecular FormulaC16H18BrN3O
Molecular Weight348.24 g/mol
Exact Mass347.06
IUPAC NameN-(4-bromo-2,6-dimethylphenyl)-4-(ethylamino)pyridine-2-carboxamide
SMILESCCNc1ccnc(C(=O)Nc2c(C)cc(Br)cc2C)c1
InChIInChI=1S/C16H18BrN3O/c1-4-18-13-5-6-19-14(9-13)16(21)20-15-10(2)7-12(17)8-11(15)3/h5-9H,4H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyRRWDPIIDBZYZCQ-UHFFFAOYSA-N
XLogP4.15
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 ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dichlorophenyl)-4-(ethylamino)pyridine-2-carboxamide
CID 62172602
N-(4-bromo-2-methylphenyl)-4-(propylamino)pyridine-2-carboxamide
CID 62186935
N-(4-bromo-2-methylphenyl)-4-(tert-butylamino)pyridine-2-carboxamide
CID 109217034
N-(3-bromo-5-methylphenyl)-4-(propylamino)pyridine-2-carboxamide
CID 107578587
4-(tert-butylamino)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide
CID 109216969
4-(ethylamino)-N-(4-methoxy-3-methylphenyl)pyridine-2-carboxamide
CID 62181190
4-(3-methylbutylamino)-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide
CID 109217411
4-(ethylamino)-N-pyrazin-2-ylpyridine-2-carboxamide
CID 62168412
N-[1-(4-bromophenyl)ethyl]-4-(ethylamino)pyridine-2-carboxamide
CID 62173589
N-(4-bromo-2,6-dichlorophenyl)-4-(methylamino)pyridine-2-carboxamide
CID 62166688
4-(ethylamino)-N-(1,2-oxazol-4-yl)pyridine-2-carboxamide
CID 62913623
N-(2-chloro-4,6-dimethylphenyl)-4-(2-methoxyethylamino)pyridine-2-carboxamide
CID 109205952

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-4-(ethylamino)pyridine-2-carboxamide?
The IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-4-(ethylamino)pyridine-2-carboxamide (CID 62185216) is N-(4-bromo-2,6-dimethylphenyl)-4-(ethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-bromo-2,6-dimethylphenyl)-4-(ethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(4-bromo-2,6-dimethylphenyl)-4-(ethylamino)pyridine-2-carboxamide is CCNc1ccnc(C(=O)Nc2c(C)cc(Br)cc2C)c1.
What is the InChIKey of N-(4-bromo-2,6-dimethylphenyl)-4-(ethylamino)pyridine-2-carboxamide?
The InChIKey is RRWDPIIDBZYZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O/c1-4-18-13-5-6-19-14(9-13)16(21)20-15-10(2)7-12(17)8-11(15)3/h5-9H,4H2,1-3H3,(H,18,19)(H,20,21).
What are the key properties of N-(4-bromo-2,6-dimethylphenyl)-4-(ethylamino)pyridine-2-carboxamide?
N-(4-bromo-2,6-dimethylphenyl)-4-(ethylamino)pyridine-2-carboxamide has a molecular weight of 348.24 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-dimethylphenyl)-4-(ethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 62185216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).