N-[6-(3-cyanophenyl)-1H-indazol-3-yl]-4-methylpiperidine-1-carboxamide

C21H21N5O — CID 58135505

IUPACN-[6-(3-cyanophenyl)-1H-indazol-3-yl]-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)Nc2n[nH]c3cc(-c4cccc(C#N)c4)ccc23)CC1
InChIInChI=1S/C21H21N5O/c1-14-7-9-26(10-8-14)21(27)23-20-18-6-5-17(12-19(18)24-25-20)16-4-2-3-15(11-16)13-22/h2-6,11-12,14H,7-10H2,1H3,(H2,23,24,25,27)
InChIKeyYXULCEVVDJXHHG-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.37
Rot. Bonds2

About N-[6-(3-cyanophenyl)-1H-indazol-3-yl]-4-methylpiperidine-1-carboxamide

N-[6-(3-cyanophenyl)-1H-indazol-3-yl]-4-methylpiperidine-1-carboxamide (PubChem CID 58135505) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[6-(3-cyanophenyl)-1H-indazol-3-yl]-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[6-(3-cyanophenyl)-1H-indazol-3-yl]-4-methylpiperidine-1-carboxamide
PubChem CID58135505
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC NameN-[6-(3-cyanophenyl)-1H-indazol-3-yl]-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)Nc2n[nH]c3cc(-c4cccc(C#N)c4)ccc23)CC1
InChIInChI=1S/C21H21N5O/c1-14-7-9-26(10-8-14)21(27)23-20-18-6-5-17(12-19(18)24-25-20)16-4-2-3-15(11-16)13-22/h2-6,11-12,14H,7-10H2,1H3,(H2,23,24,25,27)
InChIKeyYXULCEVVDJXHHG-UHFFFAOYSA-N
XLogP4.37
TPSA84.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3-cyanophenyl)-1H-indazol-3-yl]-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-[6-(3-cyanophenyl)-1H-indazol-3-yl]-4-methylpiperidine-1-carboxamide (CID 58135505) is N-[6-(3-cyanophenyl)-1H-indazol-3-yl]-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[6-(3-cyanophenyl)-1H-indazol-3-yl]-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[6-(3-cyanophenyl)-1H-indazol-3-yl]-4-methylpiperidine-1-carboxamide is CC1CCN(C(=O)Nc2n[nH]c3cc(-c4cccc(C#N)c4)ccc23)CC1.
What is the InChIKey of N-[6-(3-cyanophenyl)-1H-indazol-3-yl]-4-methylpiperidine-1-carboxamide?
The InChIKey is YXULCEVVDJXHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-14-7-9-26(10-8-14)21(27)23-20-18-6-5-17(12-19(18)24-25-20)16-4-2-3-15(11-16)13-22/h2-6,11-12,14H,7-10H2,1H3,(H2,23,24,25,27).
What are the key properties of N-[6-(3-cyanophenyl)-1H-indazol-3-yl]-4-methylpiperidine-1-carboxamide?
N-[6-(3-cyanophenyl)-1H-indazol-3-yl]-4-methylpiperidine-1-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 4.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-cyanophenyl)-1H-indazol-3-yl]-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 58135505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).