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

C20H19N5O2 — CID 58135465

IUPACN-[6-(3-cyanophenyl)-1H-indazol-3-yl]-4-hydroxypiperidine-1-carboxamide
SMILESN#Cc1cccc(-c2ccc3c(NC(=O)N4CCC(O)CC4)n[nH]c3c2)c1
InChIInChI=1S/C20H19N5O2/c21-12-13-2-1-3-14(10-13)15-4-5-17-18(11-15)23-24-19(17)22-20(27)25-8-6-16(26)7-9-25/h1-5,10-11,16,26H,6-9H2,(H2,22,23,24,27)
InChIKeyAXMRUAIAKFKKAE-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.09
Rot. Bonds2

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

N-[6-(3-cyanophenyl)-1H-indazol-3-yl]-4-hydroxypiperidine-1-carboxamide (PubChem CID 58135465) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is N-[6-(3-cyanophenyl)-1H-indazol-3-yl]-4-hydroxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[6-(3-cyanophenyl)-1H-indazol-3-yl]-4-hydroxypiperidine-1-carboxamide
PubChem CID58135465
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC NameN-[6-(3-cyanophenyl)-1H-indazol-3-yl]-4-hydroxypiperidine-1-carboxamide
SMILESN#Cc1cccc(-c2ccc3c(NC(=O)N4CCC(O)CC4)n[nH]c3c2)c1
InChIInChI=1S/C20H19N5O2/c21-12-13-2-1-3-14(10-13)15-4-5-17-18(11-15)23-24-19(17)22-20(27)25-8-6-16(26)7-9-25/h1-5,10-11,16,26H,6-9H2,(H2,22,23,24,27)
InChIKeyAXMRUAIAKFKKAE-UHFFFAOYSA-N
XLogP3.09
TPSA105.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3-cyanophenyl)-1H-indazol-3-yl]-4-hydroxypiperidine-1-carboxamide?
The IUPAC name of N-[6-(3-cyanophenyl)-1H-indazol-3-yl]-4-hydroxypiperidine-1-carboxamide (CID 58135465) is N-[6-(3-cyanophenyl)-1H-indazol-3-yl]-4-hydroxypiperidine-1-carboxamide.
What is the SMILES notation for N-[6-(3-cyanophenyl)-1H-indazol-3-yl]-4-hydroxypiperidine-1-carboxamide?
The canonical SMILES for N-[6-(3-cyanophenyl)-1H-indazol-3-yl]-4-hydroxypiperidine-1-carboxamide is N#Cc1cccc(-c2ccc3c(NC(=O)N4CCC(O)CC4)n[nH]c3c2)c1.
What is the InChIKey of N-[6-(3-cyanophenyl)-1H-indazol-3-yl]-4-hydroxypiperidine-1-carboxamide?
The InChIKey is AXMRUAIAKFKKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c21-12-13-2-1-3-14(10-13)15-4-5-17-18(11-15)23-24-19(17)22-20(27)25-8-6-16(26)7-9-25/h1-5,10-11,16,26H,6-9H2,(H2,22,23,24,27).
What are the key properties of N-[6-(3-cyanophenyl)-1H-indazol-3-yl]-4-hydroxypiperidine-1-carboxamide?
N-[6-(3-cyanophenyl)-1H-indazol-3-yl]-4-hydroxypiperidine-1-carboxamide has a molecular weight of 361.41 g/mol, XLogP of 3.09, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-cyanophenyl)-1H-indazol-3-yl]-4-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 58135465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).