N-[6-(3-bromo-4-methylanilino)-3-pyridinyl]cyclobutanecarboxamide

C17H18BrN3O — CID 113019263

IUPACN-[6-(3-bromo-4-methylanilino)-3-pyridinyl]cyclobutanecarboxamide
SMILESCc1ccc(Nc2ccc(NC(=O)C3CCC3)cn2)cc1Br
InChIInChI=1S/C17H18BrN3O/c1-11-5-6-13(9-15(11)18)20-16-8-7-14(10-19-16)21-17(22)12-3-2-4-12/h5-10,12H,2-4H2,1H3,(H,19,20)(H,21,22)
InChIKeyAIZGZCRDVLVZBB-UHFFFAOYSA-N
MW360.26 g/mol
LogP4.63
Rot. Bonds4

About N-[6-(3-bromo-4-methylanilino)-3-pyridinyl]cyclobutanecarboxamide

N-[6-(3-bromo-4-methylanilino)-3-pyridinyl]cyclobutanecarboxamide (PubChem CID 113019263) has the molecular formula C17H18BrN3O and a molecular weight of 360.26 g/mol. Its IUPAC name is N-[6-(3-bromo-4-methylanilino)-3-pyridinyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[6-(3-bromo-4-methylanilino)-3-pyridinyl]cyclobutanecarboxamide
PubChem CID113019263
Molecular FormulaC17H18BrN3O
Molecular Weight360.26 g/mol
Exact Mass359.06
IUPAC NameN-[6-(3-bromo-4-methylanilino)-3-pyridinyl]cyclobutanecarboxamide
SMILESCc1ccc(Nc2ccc(NC(=O)C3CCC3)cn2)cc1Br
InChIInChI=1S/C17H18BrN3O/c1-11-5-6-13(9-15(11)18)20-16-8-7-14(10-19-16)21-17(22)12-3-2-4-12/h5-10,12H,2-4H2,1H3,(H,19,20)(H,21,22)
InChIKeyAIZGZCRDVLVZBB-UHFFFAOYSA-N
XLogP4.63
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.26
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(4-propan-2-ylanilino)-3-pyridinyl]cyclobutanecarboxamide
CID 113017854
N-[6-(3-bromo-4-methylanilino)pyridazin-3-yl]oxane-4-carboxamide
CID 113048072
N-(3-bromo-4-methylphenyl)-1-(cyclobutanecarbonyl)piperidine-4-carboxamide
CID 113007435
N-[5-(3,4-dimethylanilino)-2-pyridinyl]cyclopropanecarboxamide
CID 113032093
N-[6-(4-chloroanilino)-3-pyridinyl]cyclohexanecarboxamide
CID 113018586
N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]cyclobutanecarboxamide
CID 113017694
N-[5-(2,6-dimethylanilino)-2-pyridinyl]cyclobutanecarboxamide
CID 113032282
N-[6-(2-methylanilino)-3-pyridinyl]cyclopropanecarboxamide
CID 113016079
N-[6-(4-bromo-2-methylanilino)-3-pyridinyl]oxane-4-carboxamide
CID 113021511
N-[6-(3-fluoroanilino)-3-pyridinyl]cyclopropanecarboxamide
CID 113021257
5-(3-bromo-4-methylanilino)-N-cyclopropylpyrazine-2-carboxamide
CID 109271678
4-amino-N-(3-bromo-4-methylphenyl)cyclohexane-1-carboxamide
CID 55201939

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-bromo-4-methylanilino)-3-pyridinyl]cyclobutanecarboxamide?
The IUPAC name of N-[6-(3-bromo-4-methylanilino)-3-pyridinyl]cyclobutanecarboxamide (CID 113019263) is N-[6-(3-bromo-4-methylanilino)-3-pyridinyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[6-(3-bromo-4-methylanilino)-3-pyridinyl]cyclobutanecarboxamide?
The canonical SMILES for N-[6-(3-bromo-4-methylanilino)-3-pyridinyl]cyclobutanecarboxamide is Cc1ccc(Nc2ccc(NC(=O)C3CCC3)cn2)cc1Br.
What is the InChIKey of N-[6-(3-bromo-4-methylanilino)-3-pyridinyl]cyclobutanecarboxamide?
The InChIKey is AIZGZCRDVLVZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3O/c1-11-5-6-13(9-15(11)18)20-16-8-7-14(10-19-16)21-17(22)12-3-2-4-12/h5-10,12H,2-4H2,1H3,(H,19,20)(H,21,22).
What are the key properties of N-[6-(3-bromo-4-methylanilino)-3-pyridinyl]cyclobutanecarboxamide?
N-[6-(3-bromo-4-methylanilino)-3-pyridinyl]cyclobutanecarboxamide has a molecular weight of 360.26 g/mol, XLogP of 4.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-bromo-4-methylanilino)-3-pyridinyl]cyclobutanecarboxamide is sourced from PubChem (CID 113019263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).