1-(5-bromo-1H-indazole-3-carbonyl)-N-methylpiperidine-2-carboxamide

C15H17BrN4O2 — CID 136524888

IUPAC1-(5-bromo-1H-indazole-3-carbonyl)-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1C(=O)c1n[nH]c2ccc(Br)cc12
InChIInChI=1S/C15H17BrN4O2/c1-17-14(21)12-4-2-3-7-20(12)15(22)13-10-8-9(16)5-6-11(10)18-19-13/h5-6,8,12H,2-4,7H2,1H3,(H,17,21)(H,18,19)
InChIKeyUIVVIMWLXDLMAX-UHFFFAOYSA-N
MW365.23 g/mol
LogP2.07
Rot. Bonds2

About 1-(5-bromo-1H-indazole-3-carbonyl)-N-methylpiperidine-2-carboxamide

1-(5-bromo-1H-indazole-3-carbonyl)-N-methylpiperidine-2-carboxamide (PubChem CID 136524888) has the molecular formula C15H17BrN4O2 and a molecular weight of 365.23 g/mol. Its IUPAC name is 1-(5-bromo-1H-indazole-3-carbonyl)-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-(5-bromo-1H-indazole-3-carbonyl)-N-methylpiperidine-2-carboxamide
PubChem CID136524888
Molecular FormulaC15H17BrN4O2
Molecular Weight365.23 g/mol
Exact Mass364.05
IUPAC Name1-(5-bromo-1H-indazole-3-carbonyl)-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1C(=O)c1n[nH]c2ccc(Br)cc12
InChIInChI=1S/C15H17BrN4O2/c1-17-14(21)12-4-2-3-7-20(12)15(22)13-10-8-9(16)5-6-11(10)18-19-13/h5-6,8,12H,2-4,7H2,1H3,(H,17,21)(H,18,19)
InChIKeyUIVVIMWLXDLMAX-UHFFFAOYSA-N
XLogP2.07
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.23
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1H-indazole-3-carbonyl)-N-methylpiperidine-2-carboxamide
CID 60966842
1-(5-amino-1H-indazole-3-carbonyl)piperidine-2-carboxamide
CID 61107580
1-(2-amino-4-bromobenzoyl)-N-methylpiperidine-2-carboxamide
CID 79719629
[2-(aminomethyl)pyrrolidin-1-yl]-(5-bromo-1H-indazol-3-yl)methanone
CID 119633174
(5-bromo-1H-indazol-3-yl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 124612175
1-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)-N-methylpiperidine-2-carboxamide
CID 62083003
(5-amino-1H-indazol-3-yl)-(2-ethylpiperidin-1-yl)methanone
CID 60905246
1-(4-amino-5-propyl-1H-pyrazole-3-carbonyl)-N-methylpiperidine-2-carboxamide
CID 62075159
(5-bromo-1H-indazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119646742
1-(5-bromopyridine-2-carbonyl)-N-methylpyrrolidine-2-carboxamide
CID 62953067
methyl 1-(1H-indazole-3-carbonyl)pyrrolidine-2-carboxylate
CID 43410192
1-(1H-indole-5-carbonyl)-N-methylpiperidine-2-carboxamide
CID 63716587

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1H-indazole-3-carbonyl)-N-methylpiperidine-2-carboxamide?
The IUPAC name of 1-(5-bromo-1H-indazole-3-carbonyl)-N-methylpiperidine-2-carboxamide (CID 136524888) is 1-(5-bromo-1H-indazole-3-carbonyl)-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for 1-(5-bromo-1H-indazole-3-carbonyl)-N-methylpiperidine-2-carboxamide?
The canonical SMILES for 1-(5-bromo-1H-indazole-3-carbonyl)-N-methylpiperidine-2-carboxamide is CNC(=O)C1CCCCN1C(=O)c1n[nH]c2ccc(Br)cc12.
What is the InChIKey of 1-(5-bromo-1H-indazole-3-carbonyl)-N-methylpiperidine-2-carboxamide?
The InChIKey is UIVVIMWLXDLMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O2/c1-17-14(21)12-4-2-3-7-20(12)15(22)13-10-8-9(16)5-6-11(10)18-19-13/h5-6,8,12H,2-4,7H2,1H3,(H,17,21)(H,18,19).
What are the key properties of 1-(5-bromo-1H-indazole-3-carbonyl)-N-methylpiperidine-2-carboxamide?
1-(5-bromo-1H-indazole-3-carbonyl)-N-methylpiperidine-2-carboxamide has a molecular weight of 365.23 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1H-indazole-3-carbonyl)-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 136524888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).