N-(4-bromophenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide

C16H18BrN3O2 — CID 109206317

IUPACN-(4-bromophenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide
SMILESCOCCCNc1ccnc(C(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C16H18BrN3O2/c1-22-10-2-8-18-14-7-9-19-15(11-14)16(21)20-13-5-3-12(17)4-6-13/h3-7,9,11H,2,8,10H2,1H3,(H,18,19)(H,20,21)
InChIKeySHHYFOIRIUMNFG-UHFFFAOYSA-N
MW364.24 g/mol
LogP3.54
Rot. Bonds7

About N-(4-bromophenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide

N-(4-bromophenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide (PubChem CID 109206317) has the molecular formula C16H18BrN3O2 and a molecular weight of 364.24 g/mol. Its IUPAC name is N-(4-bromophenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide
PubChem CID109206317
Molecular FormulaC16H18BrN3O2
Molecular Weight364.24 g/mol
Exact Mass363.06
IUPAC NameN-(4-bromophenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide
SMILESCOCCCNc1ccnc(C(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C16H18BrN3O2/c1-22-10-2-8-18-14-7-9-19-15(11-14)16(21)20-13-5-3-12(17)4-6-13/h3-7,9,11H,2,8,10H2,1H3,(H,18,19)(H,20,21)
InChIKeySHHYFOIRIUMNFG-UHFFFAOYSA-N
XLogP3.54
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.24
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-difluorophenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109206385
N-(4-acetamidophenyl)-4-(2-methoxyethylamino)pyridine-2-carboxamide
CID 109205974
N-(4-bromophenyl)-4-(2-methylpropylamino)pyridine-2-carboxamide
CID 109203163
4-bromo-N-[4-(3-methoxypropylamino)phenyl]benzamide
CID 112981040
4-(3-methoxypropylamino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109206386
N-(5-chloro-2-methylphenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109206310
N-cyclopropyl-4-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109201692
N-(2,5-dimethoxyphenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109206327
N-(4-bromophenyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide
CID 109365095
N-[2-(4-chlorophenyl)ethyl]-4-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109206249
4-(2-methoxyethylamino)-N-(4-phenylmethoxyphenyl)pyridine-2-carboxamide
CID 109205989
N-[2-(4-fluorophenyl)ethyl]-4-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109206237

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide?
The IUPAC name of N-(4-bromophenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide (CID 109206317) is N-(4-bromophenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide is COCCCNc1ccnc(C(=O)Nc2ccc(Br)cc2)c1.
What is the InChIKey of N-(4-bromophenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide?
The InChIKey is SHHYFOIRIUMNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O2/c1-22-10-2-8-18-14-7-9-19-15(11-14)16(21)20-13-5-3-12(17)4-6-13/h3-7,9,11H,2,8,10H2,1H3,(H,18,19)(H,20,21).
What are the key properties of N-(4-bromophenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide?
N-(4-bromophenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide has a molecular weight of 364.24 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109206317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).