4-(2-bromo-4-methylanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide

C17H20BrN3O2 — CID 109206175

IUPAC4-(2-bromo-4-methylanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide
SMILESCOCCCNC(=O)c1cc(Nc2ccc(C)cc2Br)ccn1
InChIInChI=1S/C17H20BrN3O2/c1-12-4-5-15(14(18)10-12)21-13-6-8-19-16(11-13)17(22)20-7-3-9-23-2/h4-6,8,10-11H,3,7,9H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyUYXIXXTYFKGYMB-UHFFFAOYSA-N
MW378.27 g/mol
LogP3.66
Rot. Bonds7

About 4-(2-bromo-4-methylanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide

4-(2-bromo-4-methylanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide (PubChem CID 109206175) has the molecular formula C17H20BrN3O2 and a molecular weight of 378.27 g/mol. Its IUPAC name is 4-(2-bromo-4-methylanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2-bromo-4-methylanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide
PubChem CID109206175
Molecular FormulaC17H20BrN3O2
Molecular Weight378.27 g/mol
Exact Mass377.07
IUPAC Name4-(2-bromo-4-methylanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide
SMILESCOCCCNC(=O)c1cc(Nc2ccc(C)cc2Br)ccn1
InChIInChI=1S/C17H20BrN3O2/c1-12-4-5-15(14(18)10-12)21-13-6-8-19-16(11-13)17(22)20-7-3-9-23-2/h4-6,8,10-11H,3,7,9H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyUYXIXXTYFKGYMB-UHFFFAOYSA-N
XLogP3.66
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.27
LogP ≤ 53.66
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

4-(2-bromo-4-methylanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109207857
4-(4-bromo-2-methylanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109206176
5-(2-bromo-4-methylanilino)-N-(3-methoxypropyl)pyrazine-2-carboxamide
CID 109276172
4-(2-bromo-4-methylanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109212781
2-(2-bromo-4-methylanilino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide
CID 109299940
N-(3-methoxypropyl)-4-(2-propan-2-yloxyanilino)pyridine-2-carboxamide
CID 109206145
4-(3-methoxyanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109206140
N-(3-methoxypropyl)-4-(4-propan-2-yloxyanilino)pyridine-2-carboxamide
CID 109206146
2-(3-bromo-4-methylanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide
CID 109300266
2-(2-bromo-4-methylanilino)-N-butylpyrimidine-4-carboxamide
CID 109296661
N-(2-methoxyethyl)-4-(2,3,4-trifluoroanilino)pyridine-2-carboxamide
CID 109205837
N-[2-(dimethylamino)ethyl]-4-(2,4-dimethylanilino)pyridine-2-carboxamide
CID 109207165

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-methylanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide?
The IUPAC name of 4-(2-bromo-4-methylanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide (CID 109206175) is 4-(2-bromo-4-methylanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(2-bromo-4-methylanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(2-bromo-4-methylanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide is COCCCNC(=O)c1cc(Nc2ccc(C)cc2Br)ccn1.
What is the InChIKey of 4-(2-bromo-4-methylanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide?
The InChIKey is UYXIXXTYFKGYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3O2/c1-12-4-5-15(14(18)10-12)21-13-6-8-19-16(11-13)17(22)20-7-3-9-23-2/h4-6,8,10-11H,3,7,9H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 4-(2-bromo-4-methylanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide?
4-(2-bromo-4-methylanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide has a molecular weight of 378.27 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-methylanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide is sourced from PubChem (CID 109206175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).