N-(4-bromophenyl)-2-(dipropylamino)pyridine-4-carboxamide

C18H22BrN3O — CID 109175913

IUPACN-(4-bromophenyl)-2-(dipropylamino)pyridine-4-carboxamide
SMILESCCCN(CCC)c1cc(C(=O)Nc2ccc(Br)cc2)ccn1
InChIInChI=1S/C18H22BrN3O/c1-3-11-22(12-4-2)17-13-14(9-10-20-17)18(23)21-16-7-5-15(19)6-8-16/h5-10,13H,3-4,11-12H2,1-2H3,(H,21,23)
InChIKeyIENDLMRPOYDCRC-UHFFFAOYSA-N
MW376.30 g/mol
LogP4.72
Rot. Bonds7

About N-(4-bromophenyl)-2-(dipropylamino)pyridine-4-carboxamide

N-(4-bromophenyl)-2-(dipropylamino)pyridine-4-carboxamide (PubChem CID 109175913) has the molecular formula C18H22BrN3O and a molecular weight of 376.30 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(dipropylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(dipropylamino)pyridine-4-carboxamide
PubChem CID109175913
Molecular FormulaC18H22BrN3O
Molecular Weight376.30 g/mol
Exact Mass375.09
IUPAC NameN-(4-bromophenyl)-2-(dipropylamino)pyridine-4-carboxamide
SMILESCCCN(CCC)c1cc(C(=O)Nc2ccc(Br)cc2)ccn1
InChIInChI=1S/C18H22BrN3O/c1-3-11-22(12-4-2)17-13-14(9-10-20-17)18(23)21-16-7-5-15(19)6-8-16/h5-10,13H,3-4,11-12H2,1-2H3,(H,21,23)
InChIKeyIENDLMRPOYDCRC-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

2-(dipropylamino)-N-(4-ethoxyphenyl)pyridine-4-carboxamide
CID 109175918
N-(3,4-dimethylphenyl)-2-(dipropylamino)pyridine-4-carboxamide
CID 109175898
2-(dipropylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 109175938
N-(4-bromophenyl)-2-(N-methylanilino)pyridine-4-carboxamide
CID 109176388
N-tert-butyl-2-(dipropylamino)pyridine-4-carboxamide
CID 109174998
4-N-(4-bromophenyl)-2-N-propylpyridine-2,4-dicarboxamide
CID 109077938
N-(2,4-difluorophenyl)-2-(dipropylamino)pyridine-4-carboxamide
CID 109175949
2-(dipropylamino)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide
CID 109175957
N-(4-acetamidophenyl)-2-[butyl(methyl)amino]pyridine-4-carboxamide
CID 109175595
N-(4-bromophenyl)-6-(dipropylamino)-2-methylpyrimidine-4-carboxamide
CID 112847506
N-[3-(dimethylamino)propyl]-2-(dipropylamino)pyridine-4-carboxamide
CID 109168202
N-(5-chloro-2-methoxyphenyl)-2-(dipropylamino)pyridine-4-carboxamide
CID 109175912

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(dipropylamino)pyridine-4-carboxamide?
The IUPAC name of N-(4-bromophenyl)-2-(dipropylamino)pyridine-4-carboxamide (CID 109175913) is N-(4-bromophenyl)-2-(dipropylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(dipropylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-2-(dipropylamino)pyridine-4-carboxamide is CCCN(CCC)c1cc(C(=O)Nc2ccc(Br)cc2)ccn1.
What is the InChIKey of N-(4-bromophenyl)-2-(dipropylamino)pyridine-4-carboxamide?
The InChIKey is IENDLMRPOYDCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN3O/c1-3-11-22(12-4-2)17-13-14(9-10-20-17)18(23)21-16-7-5-15(19)6-8-16/h5-10,13H,3-4,11-12H2,1-2H3,(H,21,23).
What are the key properties of N-(4-bromophenyl)-2-(dipropylamino)pyridine-4-carboxamide?
N-(4-bromophenyl)-2-(dipropylamino)pyridine-4-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-(4-bromophenyl)-2-(dipropylamino)pyridine-4-carboxamide is sourced from PubChem (CID 109175913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).