N-(3-bromo-5-methylphenyl)-2-(ethylamino)-6-methylpyridine-4-carboxamide

C16H18BrN3O — CID 107578610

IUPACN-(3-bromo-5-methylphenyl)-2-(ethylamino)-6-methylpyridine-4-carboxamide
SMILESCCNc1cc(C(=O)Nc2cc(C)cc(Br)c2)cc(C)n1
InChIInChI=1S/C16H18BrN3O/c1-4-18-15-8-12(7-11(3)19-15)16(21)20-14-6-10(2)5-13(17)9-14/h5-9H,4H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyCCKAWGOURLPSBZ-UHFFFAOYSA-N
MW348.24 g/mol
LogP4.15
Rot. Bonds4

About N-(3-bromo-5-methylphenyl)-2-(ethylamino)-6-methylpyridine-4-carboxamide

N-(3-bromo-5-methylphenyl)-2-(ethylamino)-6-methylpyridine-4-carboxamide (PubChem CID 107578610) has the molecular formula C16H18BrN3O and a molecular weight of 348.24 g/mol. Its IUPAC name is N-(3-bromo-5-methylphenyl)-2-(ethylamino)-6-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-5-methylphenyl)-2-(ethylamino)-6-methylpyridine-4-carboxamide
PubChem CID107578610
Molecular FormulaC16H18BrN3O
Molecular Weight348.24 g/mol
Exact Mass347.06
IUPAC NameN-(3-bromo-5-methylphenyl)-2-(ethylamino)-6-methylpyridine-4-carboxamide
SMILESCCNc1cc(C(=O)Nc2cc(C)cc(Br)c2)cc(C)n1
InChIInChI=1S/C16H18BrN3O/c1-4-18-15-8-12(7-11(3)19-15)16(21)20-14-6-10(2)5-13(17)9-14/h5-9H,4H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyCCKAWGOURLPSBZ-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-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-(ethylamino)-6-methylpyridine-4-carboxamide
CID 114389401
N-(3-bromo-5-methylphenyl)-2-chloro-6-ethylpyridine-4-carboxamide
CID 107582987
3-bromo-N-(3-fluoro-5-methylphenyl)-5-methylbenzamide
CID 113460801
N-(3-bromo-5-methylphenyl)-4-(propylamino)benzamide
CID 107578574
N-(4,6-dimethyl-2-pyridinyl)-2-(ethylamino)pyridine-4-carboxamide
CID 115750707
3-bromo-N-(3-bromo-5-methylphenyl)benzamide
CID 107583869
N-(3-bromo-5-methylphenyl)-4-tert-butylbenzamide
CID 84512530
2-(ethylamino)-N-(3-fluoro-4-pyridinyl)-6-methylpyridine-4-carboxamide
CID 107595487
N-(3-bromo-5-methylphenyl)-3,5-dimethoxybenzamide
CID 110604740
N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-(ethylamino)-6-methylpyridine-4-carboxamide
CID 106098439
3-bromo-N-(3,5-dimethoxyphenyl)-5-methylbenzamide
CID 104851763
N-(5-bromo-2-methylphenyl)-2-chloro-6-(ethylamino)pyridine-4-carboxamide
CID 62181788

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methylphenyl)-2-(ethylamino)-6-methylpyridine-4-carboxamide?
The IUPAC name of N-(3-bromo-5-methylphenyl)-2-(ethylamino)-6-methylpyridine-4-carboxamide (CID 107578610) is N-(3-bromo-5-methylphenyl)-2-(ethylamino)-6-methylpyridine-4-carboxamide.
What is the SMILES notation for N-(3-bromo-5-methylphenyl)-2-(ethylamino)-6-methylpyridine-4-carboxamide?
The canonical SMILES for N-(3-bromo-5-methylphenyl)-2-(ethylamino)-6-methylpyridine-4-carboxamide is CCNc1cc(C(=O)Nc2cc(C)cc(Br)c2)cc(C)n1.
What is the InChIKey of N-(3-bromo-5-methylphenyl)-2-(ethylamino)-6-methylpyridine-4-carboxamide?
The InChIKey is CCKAWGOURLPSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O/c1-4-18-15-8-12(7-11(3)19-15)16(21)20-14-6-10(2)5-13(17)9-14/h5-9H,4H2,1-3H3,(H,18,19)(H,20,21).
What are the key properties of N-(3-bromo-5-methylphenyl)-2-(ethylamino)-6-methylpyridine-4-carboxamide?
N-(3-bromo-5-methylphenyl)-2-(ethylamino)-6-methylpyridine-4-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-(3-bromo-5-methylphenyl)-2-(ethylamino)-6-methylpyridine-4-carboxamide is sourced from PubChem (CID 107578610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).