N-[1-(6-chloroquinolin-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide

C19H20ClN5O — CID 171997661

IUPACN-[1-(6-chloroquinolin-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NC2CCN(c3ccc4cc(Cl)ccc4n3)CC2)n1
InChIInChI=1S/C19H20ClN5O/c1-24-9-8-17(23-24)19(26)21-15-6-10-25(11-7-15)18-5-2-13-12-14(20)3-4-16(13)22-18/h2-5,8-9,12,15H,6-7,10-11H2,1H3,(H,21,26)
InChIKeyOWHWMIIFMYQDFB-UHFFFAOYSA-N
MW369.86 g/mol
LogP3.02
Rot. Bonds3

About N-[1-(6-chloroquinolin-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide

N-[1-(6-chloroquinolin-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide (PubChem CID 171997661) has the molecular formula C19H20ClN5O and a molecular weight of 369.86 g/mol. Its IUPAC name is N-[1-(6-chloroquinolin-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(6-chloroquinolin-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide
PubChem CID171997661
Molecular FormulaC19H20ClN5O
Molecular Weight369.86 g/mol
Exact Mass369.14
IUPAC NameN-[1-(6-chloroquinolin-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NC2CCN(c3ccc4cc(Cl)ccc4n3)CC2)n1
InChIInChI=1S/C19H20ClN5O/c1-24-9-8-17(23-24)19(26)21-15-6-10-25(11-7-15)18-5-2-13-12-14(20)3-4-16(13)22-18/h2-5,8-9,12,15H,6-7,10-11H2,1H3,(H,21,26)
InChIKeyOWHWMIIFMYQDFB-UHFFFAOYSA-N
XLogP3.02
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.86
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6-chloroquinolin-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[1-(6-chloroquinolin-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide (CID 171997661) is N-[1-(6-chloroquinolin-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(6-chloroquinolin-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-(6-chloroquinolin-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide is Cn1ccc(C(=O)NC2CCN(c3ccc4cc(Cl)ccc4n3)CC2)n1.
What is the InChIKey of N-[1-(6-chloroquinolin-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide?
The InChIKey is OWHWMIIFMYQDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O/c1-24-9-8-17(23-24)19(26)21-15-6-10-25(11-7-15)18-5-2-13-12-14(20)3-4-16(13)22-18/h2-5,8-9,12,15H,6-7,10-11H2,1H3,(H,21,26).
What are the key properties of N-[1-(6-chloroquinolin-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide?
N-[1-(6-chloroquinolin-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide has a molecular weight of 369.86 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-chloroquinolin-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 171997661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).