N-[1-(4-cyanoquinolin-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide

C20H20N6O — CID 171997312

IUPACN-[1-(4-cyanoquinolin-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NC2CCN(c3cc(C#N)c4ccccc4n3)CC2)n1
InChIInChI=1S/C20H20N6O/c1-25-9-8-18(24-25)20(27)22-15-6-10-26(11-7-15)19-12-14(13-21)16-4-2-3-5-17(16)23-19/h2-5,8-9,12,15H,6-7,10-11H2,1H3,(H,22,27)
InChIKeyXVWYJCVLLALRJT-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.24
Rot. Bonds3

About N-[1-(4-cyanoquinolin-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide

N-[1-(4-cyanoquinolin-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide (PubChem CID 171997312) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is N-[1-(4-cyanoquinolin-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-cyanoquinolin-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide
PubChem CID171997312
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC NameN-[1-(4-cyanoquinolin-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NC2CCN(c3cc(C#N)c4ccccc4n3)CC2)n1
InChIInChI=1S/C20H20N6O/c1-25-9-8-18(24-25)20(27)22-15-6-10-26(11-7-15)19-12-14(13-21)16-4-2-3-5-17(16)23-19/h2-5,8-9,12,15H,6-7,10-11H2,1H3,(H,22,27)
InChIKeyXVWYJCVLLALRJT-UHFFFAOYSA-N
XLogP2.24
TPSA86.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyanoquinolin-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[1-(4-cyanoquinolin-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide (CID 171997312) is N-[1-(4-cyanoquinolin-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(4-cyanoquinolin-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-(4-cyanoquinolin-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide is Cn1ccc(C(=O)NC2CCN(c3cc(C#N)c4ccccc4n3)CC2)n1.
What is the InChIKey of N-[1-(4-cyanoquinolin-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide?
The InChIKey is XVWYJCVLLALRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c1-25-9-8-18(24-25)20(27)22-15-6-10-26(11-7-15)19-12-14(13-21)16-4-2-3-5-17(16)23-19/h2-5,8-9,12,15H,6-7,10-11H2,1H3,(H,22,27).
What are the key properties of N-[1-(4-cyanoquinolin-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide?
N-[1-(4-cyanoquinolin-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyanoquinolin-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 171997312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).