6-bromo-N-[2-[2-[2-(methylamino)ethylamino]-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide

C18H19BrN6O2 — CID 123830920

IUPAC6-bromo-N-[2-[2-[2-(methylamino)ethylamino]-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide
SMILESCNCCNC(=O)Cn1cc2cc(NC(=O)c3cccc(Br)n3)ccc2n1
InChIInChI=1S/C18H19BrN6O2/c1-20-7-8-21-17(26)11-25-10-12-9-13(5-6-14(12)24-25)22-18(27)15-3-2-4-16(19)23-15/h2-6,9-10,20H,7-8,11H2,1H3,(H,21,26)(H,22,27)
InChIKeyWOQXZARFFMAEEP-UHFFFAOYSA-N
MW431.29 g/mol
LogP1.78
Rot. Bonds7

About 6-bromo-N-[2-[2-[2-(methylamino)ethylamino]-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide

6-bromo-N-[2-[2-[2-(methylamino)ethylamino]-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide (PubChem CID 123830920) has the molecular formula C18H19BrN6O2 and a molecular weight of 431.29 g/mol. Its IUPAC name is 6-bromo-N-[2-[2-[2-(methylamino)ethylamino]-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[2-[2-[2-(methylamino)ethylamino]-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide
PubChem CID123830920
Molecular FormulaC18H19BrN6O2
Molecular Weight431.29 g/mol
Exact Mass430.08
IUPAC Name6-bromo-N-[2-[2-[2-(methylamino)ethylamino]-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide
SMILESCNCCNC(=O)Cn1cc2cc(NC(=O)c3cccc(Br)n3)ccc2n1
InChIInChI=1S/C18H19BrN6O2/c1-20-7-8-21-17(26)11-25-10-12-9-13(5-6-14(12)24-25)22-18(27)15-3-2-4-16(19)23-15/h2-6,9-10,20H,7-8,11H2,1H3,(H,21,26)(H,22,27)
InChIKeyWOQXZARFFMAEEP-UHFFFAOYSA-N
XLogP1.78
TPSA100.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.29
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-[2-(methylamino)ethylamino]-2-oxoethyl]indazol-5-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
CID 134422733
N-[2-[2-(2-benzamidoethylamino)-2-oxoethyl]indazol-5-yl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
CID 134422759
N-[2-[2-oxo-2-[2-(pyridin-4-ylamino)ethylamino]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 134422962
N-[2-[2-oxo-2-[2-(pyridin-4-ylmethylamino)ethylamino]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 123383131
N-[2-[2-[2-(cyclohexa-1,5-diene-1-carbonylamino)ethylamino]-2-oxoethyl]indazol-5-yl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
CID 123384554
N-[2-[2-[2-(cyclohexa-1,5-diene-1-carbonylamino)ethylamino]-2-oxoethyl]indazol-5-yl]-6-(1,3-dimethylpyrazol-4-yl)pyridine-2-carboxamide
CID 123659359
6-(4-chloropyrazol-1-yl)-N-[2-[2-[2-(cyclohexa-1,5-diene-1-carbonylamino)ethylamino]-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide
CID 123449759
N-[2-[2-(2-benzamidoethylamino)-2-oxoethyl]indazol-5-yl]-5-fluoro-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
CID 144865207
6-bromo-N-(3,4-dimethylphenyl)pyridine-2-carboxamide
CID 103874038
N-[2-[2-[2-(methylamino)ethylamino]-2-oxoethyl]-6-(2-methylpropoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 134422864
N-[2-[2-(2-benzamidoethylamino)-2-oxoethyl]indazol-5-yl]-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide
CID 134422945
N-[2-(2-oxo-2-thiomorpholin-4-ylethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 118172980

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[2-[2-[2-(methylamino)ethylamino]-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-[2-[2-[2-(methylamino)ethylamino]-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide (CID 123830920) is 6-bromo-N-[2-[2-[2-(methylamino)ethylamino]-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-[2-[2-[2-(methylamino)ethylamino]-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-[2-[2-[2-(methylamino)ethylamino]-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide is CNCCNC(=O)Cn1cc2cc(NC(=O)c3cccc(Br)n3)ccc2n1.
What is the InChIKey of 6-bromo-N-[2-[2-[2-(methylamino)ethylamino]-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide?
The InChIKey is WOQXZARFFMAEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN6O2/c1-20-7-8-21-17(26)11-25-10-12-9-13(5-6-14(12)24-25)22-18(27)15-3-2-4-16(19)23-15/h2-6,9-10,20H,7-8,11H2,1H3,(H,21,26)(H,22,27).
What are the key properties of 6-bromo-N-[2-[2-[2-(methylamino)ethylamino]-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide?
6-bromo-N-[2-[2-[2-(methylamino)ethylamino]-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide has a molecular weight of 431.29 g/mol, XLogP of 1.78, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[2-[2-[2-(methylamino)ethylamino]-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide is sourced from PubChem (CID 123830920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).