N-[1-(6-chloroquinoxalin-2-yl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide

C19H21ClN6O — CID 175651005

IUPACN-[1-(6-chloroquinoxalin-2-yl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide
SMILESCN(C(=O)c1cnn(C)c1)C1CCN(c2cnc3cc(Cl)ccc3n2)CC1
InChIInChI=1S/C19H21ClN6O/c1-24-12-13(10-22-24)19(27)25(2)15-5-7-26(8-6-15)18-11-21-17-9-14(20)3-4-16(17)23-18/h3-4,9-12,15H,5-8H2,1-2H3
InChIKeyPMVGMCAZLYUXBI-UHFFFAOYSA-N
MW384.87 g/mol
LogP2.76
Rot. Bonds3

About N-[1-(6-chloroquinoxalin-2-yl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide

N-[1-(6-chloroquinoxalin-2-yl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide (PubChem CID 175651005) has the molecular formula C19H21ClN6O and a molecular weight of 384.87 g/mol. Its IUPAC name is N-[1-(6-chloroquinoxalin-2-yl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(6-chloroquinoxalin-2-yl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide
PubChem CID175651005
Molecular FormulaC19H21ClN6O
Molecular Weight384.87 g/mol
Exact Mass384.15
IUPAC NameN-[1-(6-chloroquinoxalin-2-yl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide
SMILESCN(C(=O)c1cnn(C)c1)C1CCN(c2cnc3cc(Cl)ccc3n2)CC1
InChIInChI=1S/C19H21ClN6O/c1-24-12-13(10-22-24)19(27)25(2)15-5-7-26(8-6-15)18-11-21-17-9-14(20)3-4-16(17)23-18/h3-4,9-12,15H,5-8H2,1-2H3
InChIKeyPMVGMCAZLYUXBI-UHFFFAOYSA-N
XLogP2.76
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6-chloroquinoxalin-2-yl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[1-(6-chloroquinoxalin-2-yl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide (CID 175651005) is N-[1-(6-chloroquinoxalin-2-yl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(6-chloroquinoxalin-2-yl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-(6-chloroquinoxalin-2-yl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide is CN(C(=O)c1cnn(C)c1)C1CCN(c2cnc3cc(Cl)ccc3n2)CC1.
What is the InChIKey of N-[1-(6-chloroquinoxalin-2-yl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide?
The InChIKey is PMVGMCAZLYUXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN6O/c1-24-12-13(10-22-24)19(27)25(2)15-5-7-26(8-6-15)18-11-21-17-9-14(20)3-4-16(17)23-18/h3-4,9-12,15H,5-8H2,1-2H3.
What are the key properties of N-[1-(6-chloroquinoxalin-2-yl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide?
N-[1-(6-chloroquinoxalin-2-yl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide has a molecular weight of 384.87 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-chloroquinoxalin-2-yl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 175651005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).