N-[5-chloro-6-(5-chloro-3-pyridinyl)-3-pyridinyl]-7-methyl-2,3-dioxo-1,4-dihydropyrido[2,3-b]pyrazine-6-sulfonamide

C18H12Cl2N6O4S — CID 171812906

IUPACN-[5-chloro-6-(5-chloro-3-pyridinyl)-3-pyridinyl]-7-methyl-2,3-dioxo-1,4-dihydropyrido[2,3-b]pyrazine-6-sulfonamide
SMILESCc1cc2[nH]c(=O)c(=O)[nH]c2nc1S(=O)(=O)Nc1cnc(-c2cncc(Cl)c2)c(Cl)c1
InChIInChI=1S/C18H12Cl2N6O4S/c1-8-2-13-15(24-17(28)16(27)23-13)25-18(8)31(29,30)26-11-4-12(20)14(22-7-11)9-3-10(19)6-21-5-9/h2-7,26H,1H3,(H,23,27)(H,24,25,28)
InChIKeyXDPCNULCFAXRSW-UHFFFAOYSA-N
MW479.31 g/mol
LogP2.48
Rot. Bonds4

About N-[5-chloro-6-(5-chloro-3-pyridinyl)-3-pyridinyl]-7-methyl-2,3-dioxo-1,4-dihydropyrido[2,3-b]pyrazine-6-sulfonamide

N-[5-chloro-6-(5-chloro-3-pyridinyl)-3-pyridinyl]-7-methyl-2,3-dioxo-1,4-dihydropyrido[2,3-b]pyrazine-6-sulfonamide (PubChem CID 171812906) has the molecular formula C18H12Cl2N6O4S and a molecular weight of 479.31 g/mol. Its IUPAC name is N-[5-chloro-6-(5-chloro-3-pyridinyl)-3-pyridinyl]-7-methyl-2,3-dioxo-1,4-dihydropyrido[2,3-b]pyrazine-6-sulfonamide.

Molecular Properties

Compound NameN-[5-chloro-6-(5-chloro-3-pyridinyl)-3-pyridinyl]-7-methyl-2,3-dioxo-1,4-dihydropyrido[2,3-b]pyrazine-6-sulfonamide
PubChem CID171812906
Molecular FormulaC18H12Cl2N6O4S
Molecular Weight479.31 g/mol
Exact Mass478.00
IUPAC NameN-[5-chloro-6-(5-chloro-3-pyridinyl)-3-pyridinyl]-7-methyl-2,3-dioxo-1,4-dihydropyrido[2,3-b]pyrazine-6-sulfonamide
SMILESCc1cc2[nH]c(=O)c(=O)[nH]c2nc1S(=O)(=O)Nc1cnc(-c2cncc(Cl)c2)c(Cl)c1
InChIInChI=1S/C18H12Cl2N6O4S/c1-8-2-13-15(24-17(28)16(27)23-13)25-18(8)31(29,30)26-11-4-12(20)14(22-7-11)9-3-10(19)6-21-5-9/h2-7,26H,1H3,(H,23,27)(H,24,25,28)
InChIKeyXDPCNULCFAXRSW-UHFFFAOYSA-N
XLogP2.48
TPSA150.56 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.31
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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 N-[5-chloro-6-(5-chloro-3-pyridinyl)-3-pyridinyl]-7-methyl-2,3-dioxo-1,4-dihydropyrido[2,3-b]pyrazine-6-sulfonamide?
The IUPAC name of N-[5-chloro-6-(5-chloro-3-pyridinyl)-3-pyridinyl]-7-methyl-2,3-dioxo-1,4-dihydropyrido[2,3-b]pyrazine-6-sulfonamide (CID 171812906) is N-[5-chloro-6-(5-chloro-3-pyridinyl)-3-pyridinyl]-7-methyl-2,3-dioxo-1,4-dihydropyrido[2,3-b]pyrazine-6-sulfonamide.
What is the SMILES notation for N-[5-chloro-6-(5-chloro-3-pyridinyl)-3-pyridinyl]-7-methyl-2,3-dioxo-1,4-dihydropyrido[2,3-b]pyrazine-6-sulfonamide?
The canonical SMILES for N-[5-chloro-6-(5-chloro-3-pyridinyl)-3-pyridinyl]-7-methyl-2,3-dioxo-1,4-dihydropyrido[2,3-b]pyrazine-6-sulfonamide is Cc1cc2[nH]c(=O)c(=O)[nH]c2nc1S(=O)(=O)Nc1cnc(-c2cncc(Cl)c2)c(Cl)c1.
What is the InChIKey of N-[5-chloro-6-(5-chloro-3-pyridinyl)-3-pyridinyl]-7-methyl-2,3-dioxo-1,4-dihydropyrido[2,3-b]pyrazine-6-sulfonamide?
The InChIKey is XDPCNULCFAXRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2N6O4S/c1-8-2-13-15(24-17(28)16(27)23-13)25-18(8)31(29,30)26-11-4-12(20)14(22-7-11)9-3-10(19)6-21-5-9/h2-7,26H,1H3,(H,23,27)(H,24,25,28).
What are the key properties of N-[5-chloro-6-(5-chloro-3-pyridinyl)-3-pyridinyl]-7-methyl-2,3-dioxo-1,4-dihydropyrido[2,3-b]pyrazine-6-sulfonamide?
N-[5-chloro-6-(5-chloro-3-pyridinyl)-3-pyridinyl]-7-methyl-2,3-dioxo-1,4-dihydropyrido[2,3-b]pyrazine-6-sulfonamide has a molecular weight of 479.31 g/mol, XLogP of 2.48, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-6-(5-chloro-3-pyridinyl)-3-pyridinyl]-7-methyl-2,3-dioxo-1,4-dihydropyrido[2,3-b]pyrazine-6-sulfonamide is sourced from PubChem (CID 171812906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).