N-(3-bromo-5-methoxyphenyl)-2-(ethylamino)pyridine-3-carboxamide

C15H16BrN3O2 — CID 82861112

IUPACN-(3-bromo-5-methoxyphenyl)-2-(ethylamino)pyridine-3-carboxamide
SMILESCCNc1ncccc1C(=O)Nc1cc(Br)cc(OC)c1
InChIInChI=1S/C15H16BrN3O2/c1-3-17-14-13(5-4-6-18-14)15(20)19-11-7-10(16)8-12(9-11)21-2/h4-9H,3H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyAOPLDIVRPQJDHD-UHFFFAOYSA-N
MW350.22 g/mol
LogP3.54
Rot. Bonds5

About N-(3-bromo-5-methoxyphenyl)-2-(ethylamino)pyridine-3-carboxamide

N-(3-bromo-5-methoxyphenyl)-2-(ethylamino)pyridine-3-carboxamide (PubChem CID 82861112) has the molecular formula C15H16BrN3O2 and a molecular weight of 350.22 g/mol. Its IUPAC name is N-(3-bromo-5-methoxyphenyl)-2-(ethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-5-methoxyphenyl)-2-(ethylamino)pyridine-3-carboxamide
PubChem CID82861112
Molecular FormulaC15H16BrN3O2
Molecular Weight350.22 g/mol
Exact Mass349.04
IUPAC NameN-(3-bromo-5-methoxyphenyl)-2-(ethylamino)pyridine-3-carboxamide
SMILESCCNc1ncccc1C(=O)Nc1cc(Br)cc(OC)c1
InChIInChI=1S/C15H16BrN3O2/c1-3-17-14-13(5-4-6-18-14)15(20)19-11-7-10(16)8-12(9-11)21-2/h4-9H,3H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyAOPLDIVRPQJDHD-UHFFFAOYSA-N
XLogP3.54
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromo-5-methoxyphenyl)-2-hydrazinylpyridine-3-carboxamide
CID 82858745
N-(3-methoxyphenyl)-2-(propylamino)pyridine-3-carboxamide
CID 62166611
N-(3-bromo-5-methoxyphenyl)-4-(ethylamino)benzamide
CID 82859109
2-(ethylamino)-N-pyrimidin-5-ylpyridine-3-carboxamide
CID 107589901
N-(3-bromo-5-methoxyphenyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105388544
N-(3,4-difluorophenyl)-2-(ethylamino)pyridine-3-carboxamide
CID 62166522
N-(2-bromo-5-fluorophenyl)-2-(ethylamino)pyridine-3-carboxamide
CID 107631593
N-(3-bromo-5-methoxyphenyl)-2,4-dihydroxybenzamide
CID 103878372
5-bromo-N-(3-bromo-5-methoxyphenyl)-2-(methylamino)pyridine-3-carboxamide
CID 82860306
N-(4-bromo-2,5-difluorophenyl)-2-(ethylamino)pyridine-3-carboxamide
CID 107616528
N-(3-bromo-5-methoxyphenyl)benzamide
CID 82860164
N-(6-methoxy-3-pyridinyl)-2-(propylamino)pyridine-3-carboxamide
CID 62167573

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methoxyphenyl)-2-(ethylamino)pyridine-3-carboxamide?
The IUPAC name of N-(3-bromo-5-methoxyphenyl)-2-(ethylamino)pyridine-3-carboxamide (CID 82861112) is N-(3-bromo-5-methoxyphenyl)-2-(ethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-bromo-5-methoxyphenyl)-2-(ethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(3-bromo-5-methoxyphenyl)-2-(ethylamino)pyridine-3-carboxamide is CCNc1ncccc1C(=O)Nc1cc(Br)cc(OC)c1.
What is the InChIKey of N-(3-bromo-5-methoxyphenyl)-2-(ethylamino)pyridine-3-carboxamide?
The InChIKey is AOPLDIVRPQJDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O2/c1-3-17-14-13(5-4-6-18-14)15(20)19-11-7-10(16)8-12(9-11)21-2/h4-9H,3H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of N-(3-bromo-5-methoxyphenyl)-2-(ethylamino)pyridine-3-carboxamide?
N-(3-bromo-5-methoxyphenyl)-2-(ethylamino)pyridine-3-carboxamide has a molecular weight of 350.22 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-methoxyphenyl)-2-(ethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 82861112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).