3-[3-(piperidine-4-carbonylamino)phenyl]-1H-indazole-5-carboxamide

C20H21N5O2 — CID 20789041

IUPAC3-[3-(piperidine-4-carbonylamino)phenyl]-1H-indazole-5-carboxamide
SMILESNC(=O)c1ccc2[nH]nc(-c3cccc(NC(=O)C4CCNCC4)c3)c2c1
InChIInChI=1S/C20H21N5O2/c21-19(26)14-4-5-17-16(11-14)18(25-24-17)13-2-1-3-15(10-13)23-20(27)12-6-8-22-9-7-12/h1-5,10-12,22H,6-9H2,(H2,21,26)(H,23,27)(H,24,25)
InChIKeyLODKAPQZFDSYCG-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.27
Rot. Bonds4

About 3-[3-(piperidine-4-carbonylamino)phenyl]-1H-indazole-5-carboxamide

3-[3-(piperidine-4-carbonylamino)phenyl]-1H-indazole-5-carboxamide (PubChem CID 20789041) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 3-[3-(piperidine-4-carbonylamino)phenyl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-[3-(piperidine-4-carbonylamino)phenyl]-1H-indazole-5-carboxamide
PubChem CID20789041
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name3-[3-(piperidine-4-carbonylamino)phenyl]-1H-indazole-5-carboxamide
SMILESNC(=O)c1ccc2[nH]nc(-c3cccc(NC(=O)C4CCNCC4)c3)c2c1
InChIInChI=1S/C20H21N5O2/c21-19(26)14-4-5-17-16(11-14)18(25-24-17)13-2-1-3-15(10-13)23-20(27)12-6-8-22-9-7-12/h1-5,10-12,22H,6-9H2,(H2,21,26)(H,23,27)(H,24,25)
InChIKeyLODKAPQZFDSYCG-UHFFFAOYSA-N
XLogP2.27
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(piperidine-4-carbonylamino)phenyl]-1H-indazole-5-carboxamide?
The IUPAC name of 3-[3-(piperidine-4-carbonylamino)phenyl]-1H-indazole-5-carboxamide (CID 20789041) is 3-[3-(piperidine-4-carbonylamino)phenyl]-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-[3-(piperidine-4-carbonylamino)phenyl]-1H-indazole-5-carboxamide?
The canonical SMILES for 3-[3-(piperidine-4-carbonylamino)phenyl]-1H-indazole-5-carboxamide is NC(=O)c1ccc2[nH]nc(-c3cccc(NC(=O)C4CCNCC4)c3)c2c1.
What is the InChIKey of 3-[3-(piperidine-4-carbonylamino)phenyl]-1H-indazole-5-carboxamide?
The InChIKey is LODKAPQZFDSYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c21-19(26)14-4-5-17-16(11-14)18(25-24-17)13-2-1-3-15(10-13)23-20(27)12-6-8-22-9-7-12/h1-5,10-12,22H,6-9H2,(H2,21,26)(H,23,27)(H,24,25).
What are the key properties of 3-[3-(piperidine-4-carbonylamino)phenyl]-1H-indazole-5-carboxamide?
3-[3-(piperidine-4-carbonylamino)phenyl]-1H-indazole-5-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 2.27, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(piperidine-4-carbonylamino)phenyl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 20789041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).