N-(2,5-dibromophenyl)-3-(propylamino)pyridine-4-carboxamide

C15H15Br2N3O — CID 105069309

IUPACN-(2,5-dibromophenyl)-3-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cnccc1C(=O)Nc1cc(Br)ccc1Br
InChIInChI=1S/C15H15Br2N3O/c1-2-6-19-14-9-18-7-5-11(14)15(21)20-13-8-10(16)3-4-12(13)17/h3-5,7-9,19H,2,6H2,1H3,(H,20,21)
InChIKeyFCPYAUKBMCDMGE-UHFFFAOYSA-N
MW413.11 g/mol
LogP4.68
Rot. Bonds5

About N-(2,5-dibromophenyl)-3-(propylamino)pyridine-4-carboxamide

N-(2,5-dibromophenyl)-3-(propylamino)pyridine-4-carboxamide (PubChem CID 105069309) has the molecular formula C15H15Br2N3O and a molecular weight of 413.11 g/mol. Its IUPAC name is N-(2,5-dibromophenyl)-3-(propylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-dibromophenyl)-3-(propylamino)pyridine-4-carboxamide
PubChem CID105069309
Molecular FormulaC15H15Br2N3O
Molecular Weight413.11 g/mol
Exact Mass410.96
IUPAC NameN-(2,5-dibromophenyl)-3-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cnccc1C(=O)Nc1cc(Br)ccc1Br
InChIInChI=1S/C15H15Br2N3O/c1-2-6-19-14-9-18-7-5-11(14)15(21)20-13-8-10(16)3-4-12(13)17/h3-5,7-9,19H,2,6H2,1H3,(H,20,21)
InChIKeyFCPYAUKBMCDMGE-UHFFFAOYSA-N
XLogP4.68
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.11
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromo-4-fluorophenyl)-3-(propylamino)pyridine-4-carboxamide
CID 105071177
N-(2-bromo-3-chlorophenyl)-3-(propylamino)pyridine-4-carboxamide
CID 103481422
N-(2-bromo-6-fluorophenyl)-3-(propylamino)pyridine-4-carboxamide
CID 107603315
N-(2-methoxyphenyl)-3-(propylamino)pyridine-4-carboxamide
CID 105067884
N-(5-bromo-2-methylphenyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81242957
2,5-dibromo-N-(4-methyl-3-pyridinyl)benzamide
CID 114372326
N-(4-bromo-3-chlorophenyl)-3-(ethylamino)pyridine-4-carboxamide
CID 107616662
N-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(propylamino)pyridine-4-carboxamide
CID 105071358
N-(2-propan-2-ylpyrazol-3-yl)-3-(propylamino)pyridine-4-carboxamide
CID 105067928
N-(2-bromo-5-chlorophenyl)-2-(propylamino)benzamide
CID 81280415
N-(4-methyl-1,3-thiazol-2-yl)-3-(propylamino)pyridine-4-carboxamide
CID 105068083
N-(3-bromo-4-pyridinyl)-5-chloro-2-(propylamino)pyridine-4-carboxamide
CID 114924258

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dibromophenyl)-3-(propylamino)pyridine-4-carboxamide?
The IUPAC name of N-(2,5-dibromophenyl)-3-(propylamino)pyridine-4-carboxamide (CID 105069309) is N-(2,5-dibromophenyl)-3-(propylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(2,5-dibromophenyl)-3-(propylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(2,5-dibromophenyl)-3-(propylamino)pyridine-4-carboxamide is CCCNc1cnccc1C(=O)Nc1cc(Br)ccc1Br.
What is the InChIKey of N-(2,5-dibromophenyl)-3-(propylamino)pyridine-4-carboxamide?
The InChIKey is FCPYAUKBMCDMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2N3O/c1-2-6-19-14-9-18-7-5-11(14)15(21)20-13-8-10(16)3-4-12(13)17/h3-5,7-9,19H,2,6H2,1H3,(H,20,21).
What are the key properties of N-(2,5-dibromophenyl)-3-(propylamino)pyridine-4-carboxamide?
N-(2,5-dibromophenyl)-3-(propylamino)pyridine-4-carboxamide has a molecular weight of 413.11 g/mol, XLogP of 4.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dibromophenyl)-3-(propylamino)pyridine-4-carboxamide is sourced from PubChem (CID 105069309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).