N-(2-bromophenyl)-5-(diethylamino)pyridine-3-carboxamide

C16H18BrN3O — CID 109238971

IUPACN-(2-bromophenyl)-5-(diethylamino)pyridine-3-carboxamide
SMILESCCN(CC)c1cncc(C(=O)Nc2ccccc2Br)c1
InChIInChI=1S/C16H18BrN3O/c1-3-20(4-2)13-9-12(10-18-11-13)16(21)19-15-8-6-5-7-14(15)17/h5-11H,3-4H2,1-2H3,(H,19,21)
InChIKeyHSNKCCXKRFAXQV-UHFFFAOYSA-N
MW348.24 g/mol
LogP3.94
Rot. Bonds5

About N-(2-bromophenyl)-5-(diethylamino)pyridine-3-carboxamide

N-(2-bromophenyl)-5-(diethylamino)pyridine-3-carboxamide (PubChem CID 109238971) has the molecular formula C16H18BrN3O and a molecular weight of 348.24 g/mol. Its IUPAC name is N-(2-bromophenyl)-5-(diethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-5-(diethylamino)pyridine-3-carboxamide
PubChem CID109238971
Molecular FormulaC16H18BrN3O
Molecular Weight348.24 g/mol
Exact Mass347.06
IUPAC NameN-(2-bromophenyl)-5-(diethylamino)pyridine-3-carboxamide
SMILESCCN(CC)c1cncc(C(=O)Nc2ccccc2Br)c1
InChIInChI=1S/C16H18BrN3O/c1-3-20(4-2)13-9-12(10-18-11-13)16(21)19-15-8-6-5-7-14(15)17/h5-11H,3-4H2,1-2H3,(H,19,21)
InChIKeyHSNKCCXKRFAXQV-UHFFFAOYSA-N
XLogP3.94
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromophenyl)-5-(dipropylamino)pyridine-3-carboxamide
CID 109241090
5-(diethylamino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109238915
N-(2-bromophenyl)-5-(propylamino)pyridine-3-carboxamide
CID 109223122
5-(diethylamino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109238900
N-(2-bromophenyl)-5-phenylpyridine-3-carboxamide
CID 99705381
N-(2-bromo-4-methylphenyl)-5-(dipropylamino)pyridine-3-carboxamide
CID 109241092
5-[benzyl(ethyl)amino]-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109234877
5-[benzyl(ethyl)amino]-N-phenylpyridine-3-carboxamide
CID 109234844
5-(N-ethylanilino)-N-(2-methylphenyl)pyridine-3-carboxamide
CID 109241654
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(diethylamino)pyridine-3-carboxamide
CID 109238959
1-N-(2-bromophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 109048442
5-(dipropylamino)-N-phenylpyridine-3-carboxamide
CID 109241022

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-5-(diethylamino)pyridine-3-carboxamide?
The IUPAC name of N-(2-bromophenyl)-5-(diethylamino)pyridine-3-carboxamide (CID 109238971) is N-(2-bromophenyl)-5-(diethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-5-(diethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-5-(diethylamino)pyridine-3-carboxamide is CCN(CC)c1cncc(C(=O)Nc2ccccc2Br)c1.
What is the InChIKey of N-(2-bromophenyl)-5-(diethylamino)pyridine-3-carboxamide?
The InChIKey is HSNKCCXKRFAXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O/c1-3-20(4-2)13-9-12(10-18-11-13)16(21)19-15-8-6-5-7-14(15)17/h5-11H,3-4H2,1-2H3,(H,19,21).
What are the key properties of N-(2-bromophenyl)-5-(diethylamino)pyridine-3-carboxamide?
N-(2-bromophenyl)-5-(diethylamino)pyridine-3-carboxamide has a molecular weight of 348.24 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-5-(diethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109238971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).