N-[5-[6-cyano-5-[[3-cyano-1-(dimethylamino)-1-oxopropan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide

C20H20N8O2 — CID 121271912

IUPACN-[5-[6-cyano-5-[[3-cyano-1-(dimethylamino)-1-oxopropan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide
SMILESCN(C)C(=O)C(CC#N)Nc1cc(-c2cnc(NC(=O)C3CC3)cn2)cnc1C#N
InChIInChI=1S/C20H20N8O2/c1-28(2)20(30)14(5-6-21)26-15-7-13(9-23-16(15)8-22)17-10-25-18(11-24-17)27-19(29)12-3-4-12/h7,9-12,14,26H,3-5H2,1-2H3,(H,25,27,29)
InChIKeyYHOXEIYMQWYCAY-UHFFFAOYSA-N
MW404.43 g/mol
LogP1.54
Rot. Bonds7

About N-[5-[6-cyano-5-[[3-cyano-1-(dimethylamino)-1-oxopropan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide

N-[5-[6-cyano-5-[[3-cyano-1-(dimethylamino)-1-oxopropan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide (PubChem CID 121271912) has the molecular formula C20H20N8O2 and a molecular weight of 404.43 g/mol. Its IUPAC name is N-[5-[6-cyano-5-[[3-cyano-1-(dimethylamino)-1-oxopropan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[6-cyano-5-[[3-cyano-1-(dimethylamino)-1-oxopropan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide
PubChem CID121271912
Molecular FormulaC20H20N8O2
Molecular Weight404.43 g/mol
Exact Mass404.17
IUPAC NameN-[5-[6-cyano-5-[[3-cyano-1-(dimethylamino)-1-oxopropan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide
SMILESCN(C)C(=O)C(CC#N)Nc1cc(-c2cnc(NC(=O)C3CC3)cn2)cnc1C#N
InChIInChI=1S/C20H20N8O2/c1-28(2)20(30)14(5-6-21)26-15-7-13(9-23-16(15)8-22)17-10-25-18(11-24-17)27-19(29)12-3-4-12/h7,9-12,14,26H,3-5H2,1-2H3,(H,25,27,29)
InChIKeyYHOXEIYMQWYCAY-UHFFFAOYSA-N
XLogP1.54
TPSA147.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-[6-cyano-5-[[3-cyano-1-(dimethylamino)-1-oxopropan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[6-cyano-5-[[3-cyano-1-(dimethylamino)-1-oxopropan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide (CID 121271912) is N-[5-[6-cyano-5-[[3-cyano-1-(dimethylamino)-1-oxopropan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[6-cyano-5-[[3-cyano-1-(dimethylamino)-1-oxopropan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[6-cyano-5-[[3-cyano-1-(dimethylamino)-1-oxopropan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide is CN(C)C(=O)C(CC#N)Nc1cc(-c2cnc(NC(=O)C3CC3)cn2)cnc1C#N.
What is the InChIKey of N-[5-[6-cyano-5-[[3-cyano-1-(dimethylamino)-1-oxopropan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide?
The InChIKey is YHOXEIYMQWYCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N8O2/c1-28(2)20(30)14(5-6-21)26-15-7-13(9-23-16(15)8-22)17-10-25-18(11-24-17)27-19(29)12-3-4-12/h7,9-12,14,26H,3-5H2,1-2H3,(H,25,27,29).
What are the key properties of N-[5-[6-cyano-5-[[3-cyano-1-(dimethylamino)-1-oxopropan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide?
N-[5-[6-cyano-5-[[3-cyano-1-(dimethylamino)-1-oxopropan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide has a molecular weight of 404.43 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[6-cyano-5-[[3-cyano-1-(dimethylamino)-1-oxopropan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 121271912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).