N-[5-[6-cyano-5-[[1-(dimethylamino)-4,4,4-trifluoro-1-oxobutan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide

C20H20F3N7O2 — CID 121271894

IUPACN-[5-[6-cyano-5-[[1-(dimethylamino)-4,4,4-trifluoro-1-oxobutan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide
SMILESCN(C)C(=O)C(CC(F)(F)F)Nc1cc(-c2cnc(NC(=O)C3CC3)cn2)cnc1C#N
InChIInChI=1S/C20H20F3N7O2/c1-30(2)19(32)14(6-20(21,22)23)28-13-5-12(8-25-15(13)7-24)16-9-27-17(10-26-16)29-18(31)11-3-4-11/h5,8-11,14,28H,3-4,6H2,1-2H3,(H,27,29,31)
InChIKeyHDKIBIWGIUCAQO-UHFFFAOYSA-N
MW447.42 g/mol
LogP2.58
Rot. Bonds7

About N-[5-[6-cyano-5-[[1-(dimethylamino)-4,4,4-trifluoro-1-oxobutan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide

N-[5-[6-cyano-5-[[1-(dimethylamino)-4,4,4-trifluoro-1-oxobutan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide (PubChem CID 121271894) has the molecular formula C20H20F3N7O2 and a molecular weight of 447.42 g/mol. Its IUPAC name is N-[5-[6-cyano-5-[[1-(dimethylamino)-4,4,4-trifluoro-1-oxobutan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[6-cyano-5-[[1-(dimethylamino)-4,4,4-trifluoro-1-oxobutan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide
PubChem CID121271894
Molecular FormulaC20H20F3N7O2
Molecular Weight447.42 g/mol
Exact Mass447.16
IUPAC NameN-[5-[6-cyano-5-[[1-(dimethylamino)-4,4,4-trifluoro-1-oxobutan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide
SMILESCN(C)C(=O)C(CC(F)(F)F)Nc1cc(-c2cnc(NC(=O)C3CC3)cn2)cnc1C#N
InChIInChI=1S/C20H20F3N7O2/c1-30(2)19(32)14(6-20(21,22)23)28-13-5-12(8-25-15(13)7-24)16-9-27-17(10-26-16)29-18(31)11-3-4-11/h5,8-11,14,28H,3-4,6H2,1-2H3,(H,27,29,31)
InChIKeyHDKIBIWGIUCAQO-UHFFFAOYSA-N
XLogP2.58
TPSA123.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.42
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[6-cyano-5-[[1-(dimethylamino)-4,4,4-trifluoro-1-oxobutan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[6-cyano-5-[[1-(dimethylamino)-4,4,4-trifluoro-1-oxobutan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide (CID 121271894) is N-[5-[6-cyano-5-[[1-(dimethylamino)-4,4,4-trifluoro-1-oxobutan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[6-cyano-5-[[1-(dimethylamino)-4,4,4-trifluoro-1-oxobutan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[6-cyano-5-[[1-(dimethylamino)-4,4,4-trifluoro-1-oxobutan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide is CN(C)C(=O)C(CC(F)(F)F)Nc1cc(-c2cnc(NC(=O)C3CC3)cn2)cnc1C#N.
What is the InChIKey of N-[5-[6-cyano-5-[[1-(dimethylamino)-4,4,4-trifluoro-1-oxobutan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide?
The InChIKey is HDKIBIWGIUCAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N7O2/c1-30(2)19(32)14(6-20(21,22)23)28-13-5-12(8-25-15(13)7-24)16-9-27-17(10-26-16)29-18(31)11-3-4-11/h5,8-11,14,28H,3-4,6H2,1-2H3,(H,27,29,31).
What are the key properties of N-[5-[6-cyano-5-[[1-(dimethylamino)-4,4,4-trifluoro-1-oxobutan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide?
N-[5-[6-cyano-5-[[1-(dimethylamino)-4,4,4-trifluoro-1-oxobutan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide has a molecular weight of 447.42 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[6-cyano-5-[[1-(dimethylamino)-4,4,4-trifluoro-1-oxobutan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 121271894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).