2-[4-[[(1-methylpiperidine-3-carbonyl)amino]methyl]phenyl]indazole-7-carboxamide

C22H25N5O2 — CID 46226352

IUPAC2-[4-[[(1-methylpiperidine-3-carbonyl)amino]methyl]phenyl]indazole-7-carboxamide
SMILESCN1CCCC(C(=O)NCc2ccc(-n3cc4cccc(C(N)=O)c4n3)cc2)C1
InChIInChI=1S/C22H25N5O2/c1-26-11-3-5-17(13-26)22(29)24-12-15-7-9-18(10-8-15)27-14-16-4-2-6-19(21(23)28)20(16)25-27/h2,4,6-10,14,17H,3,5,11-13H2,1H3,(H2,23,28)(H,24,29)
InChIKeyNWAGWYQOJGTXLT-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.08
Rot. Bonds5

About 2-[4-[[(1-methylpiperidine-3-carbonyl)amino]methyl]phenyl]indazole-7-carboxamide

2-[4-[[(1-methylpiperidine-3-carbonyl)amino]methyl]phenyl]indazole-7-carboxamide (PubChem CID 46226352) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 2-[4-[[(1-methylpiperidine-3-carbonyl)amino]methyl]phenyl]indazole-7-carboxamide.

Molecular Properties

Compound Name2-[4-[[(1-methylpiperidine-3-carbonyl)amino]methyl]phenyl]indazole-7-carboxamide
PubChem CID46226352
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name2-[4-[[(1-methylpiperidine-3-carbonyl)amino]methyl]phenyl]indazole-7-carboxamide
SMILESCN1CCCC(C(=O)NCc2ccc(-n3cc4cccc(C(N)=O)c4n3)cc2)C1
InChIInChI=1S/C22H25N5O2/c1-26-11-3-5-17(13-26)22(29)24-12-15-7-9-18(10-8-15)27-14-16-4-2-6-19(21(23)28)20(16)25-27/h2,4,6-10,14,17H,3,5,11-13H2,1H3,(H2,23,28)(H,24,29)
InChIKeyNWAGWYQOJGTXLT-UHFFFAOYSA-N
XLogP2.08
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(1-methylpiperidine-3-carbonyl)amino]methyl]phenyl]indazole-7-carboxamide?
The IUPAC name of 2-[4-[[(1-methylpiperidine-3-carbonyl)amino]methyl]phenyl]indazole-7-carboxamide (CID 46226352) is 2-[4-[[(1-methylpiperidine-3-carbonyl)amino]methyl]phenyl]indazole-7-carboxamide.
What is the SMILES notation for 2-[4-[[(1-methylpiperidine-3-carbonyl)amino]methyl]phenyl]indazole-7-carboxamide?
The canonical SMILES for 2-[4-[[(1-methylpiperidine-3-carbonyl)amino]methyl]phenyl]indazole-7-carboxamide is CN1CCCC(C(=O)NCc2ccc(-n3cc4cccc(C(N)=O)c4n3)cc2)C1.
What is the InChIKey of 2-[4-[[(1-methylpiperidine-3-carbonyl)amino]methyl]phenyl]indazole-7-carboxamide?
The InChIKey is NWAGWYQOJGTXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-26-11-3-5-17(13-26)22(29)24-12-15-7-9-18(10-8-15)27-14-16-4-2-6-19(21(23)28)20(16)25-27/h2,4,6-10,14,17H,3,5,11-13H2,1H3,(H2,23,28)(H,24,29).
What are the key properties of 2-[4-[[(1-methylpiperidine-3-carbonyl)amino]methyl]phenyl]indazole-7-carboxamide?
2-[4-[[(1-methylpiperidine-3-carbonyl)amino]methyl]phenyl]indazole-7-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(1-methylpiperidine-3-carbonyl)amino]methyl]phenyl]indazole-7-carboxamide is sourced from PubChem (CID 46226352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).