3-N-(5-chloro-2-pyridinyl)-2-N-[4-(propylamino)phenyl]pyrazine-2,3-dicarboxamide

C20H19ClN6O2 — CID 59799292

IUPAC3-N-(5-chloro-2-pyridinyl)-2-N-[4-(propylamino)phenyl]pyrazine-2,3-dicarboxamide
SMILESCCCNc1ccc(NC(=O)c2nccnc2C(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C20H19ClN6O2/c1-2-9-22-14-4-6-15(7-5-14)26-19(28)17-18(24-11-10-23-17)20(29)27-16-8-3-13(21)12-25-16/h3-8,10-12,22H,2,9H2,1H3,(H,26,28)(H,25,27,29)
InChIKeyHACKHFGABSLIJX-UHFFFAOYSA-N
MW410.87 g/mol
LogP3.85
Rot. Bonds7

About 3-N-(5-chloro-2-pyridinyl)-2-N-[4-(propylamino)phenyl]pyrazine-2,3-dicarboxamide

3-N-(5-chloro-2-pyridinyl)-2-N-[4-(propylamino)phenyl]pyrazine-2,3-dicarboxamide (PubChem CID 59799292) has the molecular formula C20H19ClN6O2 and a molecular weight of 410.87 g/mol. Its IUPAC name is 3-N-(5-chloro-2-pyridinyl)-2-N-[4-(propylamino)phenyl]pyrazine-2,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(5-chloro-2-pyridinyl)-2-N-[4-(propylamino)phenyl]pyrazine-2,3-dicarboxamide
PubChem CID59799292
Molecular FormulaC20H19ClN6O2
Molecular Weight410.87 g/mol
Exact Mass410.13
IUPAC Name3-N-(5-chloro-2-pyridinyl)-2-N-[4-(propylamino)phenyl]pyrazine-2,3-dicarboxamide
SMILESCCCNc1ccc(NC(=O)c2nccnc2C(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C20H19ClN6O2/c1-2-9-22-14-4-6-15(7-5-14)26-19(28)17-18(24-11-10-23-17)20(29)27-16-8-3-13(21)12-25-16/h3-8,10-12,22H,2,9H2,1H3,(H,26,28)(H,25,27,29)
InChIKeyHACKHFGABSLIJX-UHFFFAOYSA-N
XLogP3.85
TPSA108.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.87
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-N-(5-chloro-2-pyridinyl)-2-N-[4-(propylamino)phenyl]pyrazine-2,3-dicarboxamide?
The IUPAC name of 3-N-(5-chloro-2-pyridinyl)-2-N-[4-(propylamino)phenyl]pyrazine-2,3-dicarboxamide (CID 59799292) is 3-N-(5-chloro-2-pyridinyl)-2-N-[4-(propylamino)phenyl]pyrazine-2,3-dicarboxamide.
What is the SMILES notation for 3-N-(5-chloro-2-pyridinyl)-2-N-[4-(propylamino)phenyl]pyrazine-2,3-dicarboxamide?
The canonical SMILES for 3-N-(5-chloro-2-pyridinyl)-2-N-[4-(propylamino)phenyl]pyrazine-2,3-dicarboxamide is CCCNc1ccc(NC(=O)c2nccnc2C(=O)Nc2ccc(Cl)cn2)cc1.
What is the InChIKey of 3-N-(5-chloro-2-pyridinyl)-2-N-[4-(propylamino)phenyl]pyrazine-2,3-dicarboxamide?
The InChIKey is HACKHFGABSLIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN6O2/c1-2-9-22-14-4-6-15(7-5-14)26-19(28)17-18(24-11-10-23-17)20(29)27-16-8-3-13(21)12-25-16/h3-8,10-12,22H,2,9H2,1H3,(H,26,28)(H,25,27,29).
What are the key properties of 3-N-(5-chloro-2-pyridinyl)-2-N-[4-(propylamino)phenyl]pyrazine-2,3-dicarboxamide?
3-N-(5-chloro-2-pyridinyl)-2-N-[4-(propylamino)phenyl]pyrazine-2,3-dicarboxamide has a molecular weight of 410.87 g/mol, XLogP of 3.85, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(5-chloro-2-pyridinyl)-2-N-[4-(propylamino)phenyl]pyrazine-2,3-dicarboxamide is sourced from PubChem (CID 59799292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).