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

C18H22BrN3O — CID 109241090

IUPACN-(2-bromophenyl)-5-(dipropylamino)pyridine-3-carboxamide
SMILESCCCN(CCC)c1cncc(C(=O)Nc2ccccc2Br)c1
InChIInChI=1S/C18H22BrN3O/c1-3-9-22(10-4-2)15-11-14(12-20-13-15)18(23)21-17-8-6-5-7-16(17)19/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,21,23)
InChIKeyFOHLSPGZJLAIHG-UHFFFAOYSA-N
MW376.30 g/mol
LogP4.72
Rot. Bonds7

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

N-(2-bromophenyl)-5-(dipropylamino)pyridine-3-carboxamide (PubChem CID 109241090) has the molecular formula C18H22BrN3O and a molecular weight of 376.30 g/mol. Its IUPAC name is N-(2-bromophenyl)-5-(dipropylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-5-(dipropylamino)pyridine-3-carboxamide
PubChem CID109241090
Molecular FormulaC18H22BrN3O
Molecular Weight376.30 g/mol
Exact Mass375.09
IUPAC NameN-(2-bromophenyl)-5-(dipropylamino)pyridine-3-carboxamide
SMILESCCCN(CCC)c1cncc(C(=O)Nc2ccccc2Br)c1
InChIInChI=1S/C18H22BrN3O/c1-3-9-22(10-4-2)15-11-14(12-20-13-15)18(23)21-17-8-6-5-7-16(17)19/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,21,23)
InChIKeyFOHLSPGZJLAIHG-UHFFFAOYSA-N
XLogP4.72
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.30
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromophenyl)-5-(diethylamino)pyridine-3-carboxamide
CID 109238971
N-(2-bromo-4-methylphenyl)-5-(dipropylamino)pyridine-3-carboxamide
CID 109241092
5-(dipropylamino)-N-phenylpyridine-3-carboxamide
CID 109241022
N-(3-bromo-4-methylphenyl)-5-(dipropylamino)pyridine-3-carboxamide
CID 109241057
N-(2-bromophenyl)-5-(propylamino)pyridine-3-carboxamide
CID 109223122
N-(4-acetamidophenyl)-5-(dipropylamino)pyridine-3-carboxamide
CID 109241075
N-[4-(dimethylamino)phenyl]-5-(dipropylamino)pyridine-3-carboxamide
CID 109241081
N-(2-bromophenyl)-5-phenylpyridine-3-carboxamide
CID 99705381
5-(diethylamino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109238915
5-[butyl(methyl)amino]-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 109240389
5-(dipropylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
CID 109241100
3,5-dibromo-N-(2-bromophenyl)benzamide
CID 107972328

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-5-(dipropylamino)pyridine-3-carboxamide?
The IUPAC name of N-(2-bromophenyl)-5-(dipropylamino)pyridine-3-carboxamide (CID 109241090) is N-(2-bromophenyl)-5-(dipropylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-5-(dipropylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-5-(dipropylamino)pyridine-3-carboxamide is CCCN(CCC)c1cncc(C(=O)Nc2ccccc2Br)c1.
What is the InChIKey of N-(2-bromophenyl)-5-(dipropylamino)pyridine-3-carboxamide?
The InChIKey is FOHLSPGZJLAIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN3O/c1-3-9-22(10-4-2)15-11-14(12-20-13-15)18(23)21-17-8-6-5-7-16(17)19/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,21,23).
What are the key properties of N-(2-bromophenyl)-5-(dipropylamino)pyridine-3-carboxamide?
N-(2-bromophenyl)-5-(dipropylamino)pyridine-3-carboxamide has a molecular weight of 376.30 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-5-(dipropylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109241090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).