2-[4-(7-chloro-1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)piperidin-1-yl]-N-methylpyrimidine-5-carboxamide

C19H20ClN7O3 — CID 170344673

IUPAC2-[4-(7-chloro-1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)piperidin-1-yl]-N-methylpyrimidine-5-carboxamide
SMILESCNC(=O)c1cnc(N2CCC(n3c(=O)c(=O)n(C)c4cc(Cl)cnc43)CC2)nc1
InChIInChI=1S/C19H20ClN7O3/c1-21-16(28)11-8-23-19(24-9-11)26-5-3-13(4-6-26)27-15-14(7-12(20)10-22-15)25(2)17(29)18(27)30/h7-10,13H,3-6H2,1-2H3,(H,21,28)
InChIKeyTTWPDRLHZIIIEQ-UHFFFAOYSA-N
MW429.87 g/mol
LogP0.74
Rot. Bonds3

About 2-[4-(7-chloro-1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)piperidin-1-yl]-N-methylpyrimidine-5-carboxamide

2-[4-(7-chloro-1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)piperidin-1-yl]-N-methylpyrimidine-5-carboxamide (PubChem CID 170344673) has the molecular formula C19H20ClN7O3 and a molecular weight of 429.87 g/mol. Its IUPAC name is 2-[4-(7-chloro-1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)piperidin-1-yl]-N-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[4-(7-chloro-1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)piperidin-1-yl]-N-methylpyrimidine-5-carboxamide
PubChem CID170344673
Molecular FormulaC19H20ClN7O3
Molecular Weight429.87 g/mol
Exact Mass429.13
IUPAC Name2-[4-(7-chloro-1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)piperidin-1-yl]-N-methylpyrimidine-5-carboxamide
SMILESCNC(=O)c1cnc(N2CCC(n3c(=O)c(=O)n(C)c4cc(Cl)cnc43)CC2)nc1
InChIInChI=1S/C19H20ClN7O3/c1-21-16(28)11-8-23-19(24-9-11)26-5-3-13(4-6-26)27-15-14(7-12(20)10-22-15)25(2)17(29)18(27)30/h7-10,13H,3-6H2,1-2H3,(H,21,28)
InChIKeyTTWPDRLHZIIIEQ-UHFFFAOYSA-N
XLogP0.74
TPSA115.01 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.87
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(7-chloro-1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)piperidin-1-yl]-N-methylpyrimidine-5-carboxamide?
The IUPAC name of 2-[4-(7-chloro-1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)piperidin-1-yl]-N-methylpyrimidine-5-carboxamide (CID 170344673) is 2-[4-(7-chloro-1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)piperidin-1-yl]-N-methylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-[4-(7-chloro-1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)piperidin-1-yl]-N-methylpyrimidine-5-carboxamide?
The canonical SMILES for 2-[4-(7-chloro-1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)piperidin-1-yl]-N-methylpyrimidine-5-carboxamide is CNC(=O)c1cnc(N2CCC(n3c(=O)c(=O)n(C)c4cc(Cl)cnc43)CC2)nc1.
What is the InChIKey of 2-[4-(7-chloro-1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)piperidin-1-yl]-N-methylpyrimidine-5-carboxamide?
The InChIKey is TTWPDRLHZIIIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN7O3/c1-21-16(28)11-8-23-19(24-9-11)26-5-3-13(4-6-26)27-15-14(7-12(20)10-22-15)25(2)17(29)18(27)30/h7-10,13H,3-6H2,1-2H3,(H,21,28).
What are the key properties of 2-[4-(7-chloro-1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)piperidin-1-yl]-N-methylpyrimidine-5-carboxamide?
2-[4-(7-chloro-1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)piperidin-1-yl]-N-methylpyrimidine-5-carboxamide has a molecular weight of 429.87 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(7-chloro-1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)piperidin-1-yl]-N-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 170344673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).