N-methyl-2-[methyl(piperidin-4-yl)amino]-N-(1H-pyrazol-4-yl)quinoxaline-6-carboxamide

C19H23N7O — CID 162705900

IUPACN-methyl-2-[methyl(piperidin-4-yl)amino]-N-(1H-pyrazol-4-yl)quinoxaline-6-carboxamide
SMILESCN(C(=O)c1ccc2nc(N(C)C3CCNCC3)cnc2c1)c1cn[nH]c1
InChIInChI=1S/C19H23N7O/c1-25(14-5-7-20-8-6-14)18-12-21-17-9-13(3-4-16(17)24-18)19(27)26(2)15-10-22-23-11-15/h3-4,9-12,14,20H,5-8H2,1-2H3,(H,22,23)
InChIKeySGCUCPMLXWQINR-UHFFFAOYSA-N
MW365.44 g/mol
LogP1.82
Rot. Bonds4

About N-methyl-2-[methyl(piperidin-4-yl)amino]-N-(1H-pyrazol-4-yl)quinoxaline-6-carboxamide

N-methyl-2-[methyl(piperidin-4-yl)amino]-N-(1H-pyrazol-4-yl)quinoxaline-6-carboxamide (PubChem CID 162705900) has the molecular formula C19H23N7O and a molecular weight of 365.44 g/mol. Its IUPAC name is N-methyl-2-[methyl(piperidin-4-yl)amino]-N-(1H-pyrazol-4-yl)quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-methyl-2-[methyl(piperidin-4-yl)amino]-N-(1H-pyrazol-4-yl)quinoxaline-6-carboxamide
PubChem CID162705900
Molecular FormulaC19H23N7O
Molecular Weight365.44 g/mol
Exact Mass365.20
IUPAC NameN-methyl-2-[methyl(piperidin-4-yl)amino]-N-(1H-pyrazol-4-yl)quinoxaline-6-carboxamide
SMILESCN(C(=O)c1ccc2nc(N(C)C3CCNCC3)cnc2c1)c1cn[nH]c1
InChIInChI=1S/C19H23N7O/c1-25(14-5-7-20-8-6-14)18-12-21-17-9-13(3-4-16(17)24-18)19(27)26(2)15-10-22-23-11-15/h3-4,9-12,14,20H,5-8H2,1-2H3,(H,22,23)
InChIKeySGCUCPMLXWQINR-UHFFFAOYSA-N
XLogP1.82
TPSA90.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[methyl(piperidin-4-yl)amino]-N-(1H-pyrazol-4-yl)quinoxaline-6-carboxamide?
The IUPAC name of N-methyl-2-[methyl(piperidin-4-yl)amino]-N-(1H-pyrazol-4-yl)quinoxaline-6-carboxamide (CID 162705900) is N-methyl-2-[methyl(piperidin-4-yl)amino]-N-(1H-pyrazol-4-yl)quinoxaline-6-carboxamide.
What is the SMILES notation for N-methyl-2-[methyl(piperidin-4-yl)amino]-N-(1H-pyrazol-4-yl)quinoxaline-6-carboxamide?
The canonical SMILES for N-methyl-2-[methyl(piperidin-4-yl)amino]-N-(1H-pyrazol-4-yl)quinoxaline-6-carboxamide is CN(C(=O)c1ccc2nc(N(C)C3CCNCC3)cnc2c1)c1cn[nH]c1.
What is the InChIKey of N-methyl-2-[methyl(piperidin-4-yl)amino]-N-(1H-pyrazol-4-yl)quinoxaline-6-carboxamide?
The InChIKey is SGCUCPMLXWQINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O/c1-25(14-5-7-20-8-6-14)18-12-21-17-9-13(3-4-16(17)24-18)19(27)26(2)15-10-22-23-11-15/h3-4,9-12,14,20H,5-8H2,1-2H3,(H,22,23).
What are the key properties of N-methyl-2-[methyl(piperidin-4-yl)amino]-N-(1H-pyrazol-4-yl)quinoxaline-6-carboxamide?
N-methyl-2-[methyl(piperidin-4-yl)amino]-N-(1H-pyrazol-4-yl)quinoxaline-6-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[methyl(piperidin-4-yl)amino]-N-(1H-pyrazol-4-yl)quinoxaline-6-carboxamide is sourced from PubChem (CID 162705900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).