N-(3-bromophenyl)-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide

C17H17BrN4O2 — CID 109168993

IUPACN-(3-bromophenyl)-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide
SMILESO=CN1CCN(c2cc(C(=O)Nc3cccc(Br)c3)ccn2)CC1
InChIInChI=1S/C17H17BrN4O2/c18-14-2-1-3-15(11-14)20-17(24)13-4-5-19-16(10-13)22-8-6-21(12-23)7-9-22/h1-5,10-12H,6-9H2,(H,20,24)
InChIKeyRCKKONNPDRYRCQ-UHFFFAOYSA-N
MW389.25 g/mol
LogP2.37
Rot. Bonds4

About N-(3-bromophenyl)-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide

N-(3-bromophenyl)-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide (PubChem CID 109168993) has the molecular formula C17H17BrN4O2 and a molecular weight of 389.25 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide
PubChem CID109168993
Molecular FormulaC17H17BrN4O2
Molecular Weight389.25 g/mol
Exact Mass388.05
IUPAC NameN-(3-bromophenyl)-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide
SMILESO=CN1CCN(c2cc(C(=O)Nc3cccc(Br)c3)ccn2)CC1
InChIInChI=1S/C17H17BrN4O2/c18-14-2-1-3-15(11-14)20-17(24)13-4-5-19-16(10-13)22-8-6-21(12-23)7-9-22/h1-5,10-12H,6-9H2,(H,20,24)
InChIKeyRCKKONNPDRYRCQ-UHFFFAOYSA-N
XLogP2.37
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.25
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(4-tert-butylphenyl)-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide
CID 109168959
N-(3-aminophenyl)-2-morpholin-4-ylpyridine-4-carboxamide
CID 22238130
N-(3-cyanophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide
CID 109174626
N-(3-acetamidophenyl)-6-(4-formylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109345667
2-(4-formylpiperazine-1-carbonyl)-N-(3-methylphenyl)pyridine-4-carboxamide
CID 109084786
N-[3-(dimethylamino)phenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide
CID 84574864
N-(3-cyanophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-4-carboxamide
CID 109174704
N-(2,4-dimethoxyphenyl)-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide
CID 109168975
3-benzamido-N-(3-bromophenyl)benzamide
CID 1304486
N-[(4-chlorophenyl)methyl]-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide
CID 109168916
N-(1,3-benzodioxol-5-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide
CID 117086871
N-(1,1-dioxothiolan-3-yl)-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide
CID 109168928

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide?
The IUPAC name of N-(3-bromophenyl)-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide (CID 109168993) is N-(3-bromophenyl)-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide is O=CN1CCN(c2cc(C(=O)Nc3cccc(Br)c3)ccn2)CC1.
What is the InChIKey of N-(3-bromophenyl)-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide?
The InChIKey is RCKKONNPDRYRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN4O2/c18-14-2-1-3-15(11-14)20-17(24)13-4-5-19-16(10-13)22-8-6-21(12-23)7-9-22/h1-5,10-12H,6-9H2,(H,20,24).
What are the key properties of N-(3-bromophenyl)-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide?
N-(3-bromophenyl)-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide has a molecular weight of 389.25 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 109168993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).