5-(4-bromoanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide

C16H18BrN3O2 — CID 109184307

IUPAC5-(4-bromoanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide
SMILESCOCCCNC(=O)c1ccc(Nc2ccc(Br)cc2)cn1
InChIInChI=1S/C16H18BrN3O2/c1-22-10-2-9-18-16(21)15-8-7-14(11-19-15)20-13-5-3-12(17)4-6-13/h3-8,11,20H,2,9-10H2,1H3,(H,18,21)
InChIKeyMGHBGQDKQRIHBG-UHFFFAOYSA-N
MW364.24 g/mol
LogP3.35
Rot. Bonds7

About 5-(4-bromoanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide

5-(4-bromoanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide (PubChem CID 109184307) has the molecular formula C16H18BrN3O2 and a molecular weight of 364.24 g/mol. Its IUPAC name is 5-(4-bromoanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(4-bromoanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide
PubChem CID109184307
Molecular FormulaC16H18BrN3O2
Molecular Weight364.24 g/mol
Exact Mass363.06
IUPAC Name5-(4-bromoanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide
SMILESCOCCCNC(=O)c1ccc(Nc2ccc(Br)cc2)cn1
InChIInChI=1S/C16H18BrN3O2/c1-22-10-2-9-18-16(21)15-8-7-14(11-19-15)20-13-5-3-12(17)4-6-13/h3-8,11,20H,2,9-10H2,1H3,(H,18,21)
InChIKeyMGHBGQDKQRIHBG-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-(3-methoxypropyl)pyridine-2-carboxamide
CID 109184344
5-(4-bromoanilino)-N-(3-methoxypropyl)pyrazine-2-carboxamide
CID 109276134
N-(3-methoxypropyl)-5-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109184195
N-(2-methoxyethyl)-5-(4-methylanilino)pyridine-2-carboxamide
CID 109183906
5-(3-chloro-4-methoxyanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109184305
5-(4-bromo-2-methylanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109183979
5-bromo-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 62954201
N-(2-methoxyethyl)-5-(4-propan-2-ylanilino)pyridine-2-carboxamide
CID 109183921
5-[2-(dimethylamino)ethylamino]-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109184198
N-(3-methoxypropyl)-5-(prop-2-enylamino)pyridine-2-carboxamide
CID 109180434
5-(4-chloro-2,5-dimethoxyanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109184365
5-(cyclohexylamino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109183067

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromoanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide?
The IUPAC name of 5-(4-bromoanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide (CID 109184307) is 5-(4-bromoanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(4-bromoanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(4-bromoanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide is COCCCNC(=O)c1ccc(Nc2ccc(Br)cc2)cn1.
What is the InChIKey of 5-(4-bromoanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide?
The InChIKey is MGHBGQDKQRIHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O2/c1-22-10-2-9-18-16(21)15-8-7-14(11-19-15)20-13-5-3-12(17)4-6-13/h3-8,11,20H,2,9-10H2,1H3,(H,18,21).
What are the key properties of 5-(4-bromoanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide?
5-(4-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-(4-bromoanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide is sourced from PubChem (CID 109184307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).