5-(3-bromoanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide

C16H18BrN3O2 — CID 109184344

IUPAC5-(3-bromoanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide
SMILESCOCCCNC(=O)c1ccc(Nc2cccc(Br)c2)cn1
InChIInChI=1S/C16H18BrN3O2/c1-22-9-3-8-18-16(21)15-7-6-14(11-19-15)20-13-5-2-4-12(17)10-13/h2,4-7,10-11,20H,3,8-9H2,1H3,(H,18,21)
InChIKeyFCDPCOHAAXBCEM-UHFFFAOYSA-N
MW364.24 g/mol
LogP3.35
Rot. Bonds7

About 5-(3-bromoanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide

5-(3-bromoanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide (PubChem CID 109184344) has the molecular formula C16H18BrN3O2 and a molecular weight of 364.24 g/mol. Its IUPAC name is 5-(3-bromoanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-bromoanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide
PubChem CID109184344
Molecular FormulaC16H18BrN3O2
Molecular Weight364.24 g/mol
Exact Mass363.06
IUPAC Name5-(3-bromoanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide
SMILESCOCCCNC(=O)c1ccc(Nc2cccc(Br)c2)cn1
InChIInChI=1S/C16H18BrN3O2/c1-22-9-3-8-18-16(21)15-7-6-14(11-19-15)20-13-5-2-4-12(17)10-13/h2,4-7,10-11,20H,3,8-9H2,1H3,(H,18,21)
InChIKeyFCDPCOHAAXBCEM-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
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

5-(3-bromoanilino)-N-pentylpyridine-2-carboxamide
CID 109195790
5-(4-bromoanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109184307
5-(3-bromoanilino)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide
CID 109185426
5-(3-chloro-4-methoxyanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109184305
N-(3-methoxypropyl)-5-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109184195
5-(3-chloro-4-methylanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109183935
5-(4-bromo-2-methylanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109183979
2-N-(3-bromophenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082614
N-(2-methoxyethyl)-5-(4-methylanilino)pyridine-2-carboxamide
CID 109183906
5-(3-bromoanilino)-N-cyclopentylpyridine-2-carboxamide
CID 109182312
4-(3-methoxyanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109206140
5-(3-fluoroanilino)-N-pentylpyridine-2-carboxamide
CID 109195788

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromoanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide?
The IUPAC name of 5-(3-bromoanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide (CID 109184344) is 5-(3-bromoanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(3-bromoanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(3-bromoanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide is COCCCNC(=O)c1ccc(Nc2cccc(Br)c2)cn1.
What is the InChIKey of 5-(3-bromoanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide?
The InChIKey is FCDPCOHAAXBCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O2/c1-22-9-3-8-18-16(21)15-7-6-14(11-19-15)20-13-5-2-4-12(17)10-13/h2,4-7,10-11,20H,3,8-9H2,1H3,(H,18,21).
What are the key properties of 5-(3-bromoanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide?
5-(3-bromoanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide has a molecular weight of 364.24 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromoanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide is sourced from PubChem (CID 109184344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).