5-bromo-1-(1H-indazol-4-ylmethyl)-N-methyl-2-oxopyridine-3-carboxamide

C15H13BrN4O2 — CID 126648661

IUPAC5-bromo-1-(1H-indazol-4-ylmethyl)-N-methyl-2-oxopyridine-3-carboxamide
SMILESCNC(=O)c1cc(Br)cn(Cc2cccc3[nH]ncc23)c1=O
InChIInChI=1S/C15H13BrN4O2/c1-17-14(21)11-5-10(16)8-20(15(11)22)7-9-3-2-4-13-12(9)6-18-19-13/h2-6,8H,7H2,1H3,(H,17,21)(H,18,19)
InChIKeyMKROETDNUMJIMI-UHFFFAOYSA-N
MW361.20 g/mol
LogP1.89
Rot. Bonds3

About 5-bromo-1-(1H-indazol-4-ylmethyl)-N-methyl-2-oxopyridine-3-carboxamide

5-bromo-1-(1H-indazol-4-ylmethyl)-N-methyl-2-oxopyridine-3-carboxamide (PubChem CID 126648661) has the molecular formula C15H13BrN4O2 and a molecular weight of 361.20 g/mol. Its IUPAC name is 5-bromo-1-(1H-indazol-4-ylmethyl)-N-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-1-(1H-indazol-4-ylmethyl)-N-methyl-2-oxopyridine-3-carboxamide
PubChem CID126648661
Molecular FormulaC15H13BrN4O2
Molecular Weight361.20 g/mol
Exact Mass360.02
IUPAC Name5-bromo-1-(1H-indazol-4-ylmethyl)-N-methyl-2-oxopyridine-3-carboxamide
SMILESCNC(=O)c1cc(Br)cn(Cc2cccc3[nH]ncc23)c1=O
InChIInChI=1S/C15H13BrN4O2/c1-17-14(21)11-5-10(16)8-20(15(11)22)7-9-3-2-4-13-12(9)6-18-19-13/h2-6,8H,7H2,1H3,(H,17,21)(H,18,19)
InChIKeyMKROETDNUMJIMI-UHFFFAOYSA-N
XLogP1.89
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.20
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(1H-indazol-4-ylmethyl)-N-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of 5-bromo-1-(1H-indazol-4-ylmethyl)-N-methyl-2-oxopyridine-3-carboxamide (CID 126648661) is 5-bromo-1-(1H-indazol-4-ylmethyl)-N-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-1-(1H-indazol-4-ylmethyl)-N-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for 5-bromo-1-(1H-indazol-4-ylmethyl)-N-methyl-2-oxopyridine-3-carboxamide is CNC(=O)c1cc(Br)cn(Cc2cccc3[nH]ncc23)c1=O.
What is the InChIKey of 5-bromo-1-(1H-indazol-4-ylmethyl)-N-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is MKROETDNUMJIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4O2/c1-17-14(21)11-5-10(16)8-20(15(11)22)7-9-3-2-4-13-12(9)6-18-19-13/h2-6,8H,7H2,1H3,(H,17,21)(H,18,19).
What are the key properties of 5-bromo-1-(1H-indazol-4-ylmethyl)-N-methyl-2-oxopyridine-3-carboxamide?
5-bromo-1-(1H-indazol-4-ylmethyl)-N-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 361.20 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(1H-indazol-4-ylmethyl)-N-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 126648661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).