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

C20H21F2N7O2 — CID 121271870

IUPACN-[5-[6-cyano-5-[[(2S)-1-(dimethylamino)-4,4-difluoro-1-oxobutan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide
SMILESCN(C)C(=O)[C@H](CC(F)F)Nc1cc(-c2cnc(NC(=O)C3CC3)cn2)cnc1C#N
InChIInChI=1S/C20H21F2N7O2/c1-29(2)20(31)14(6-17(21)22)27-13-5-12(8-24-15(13)7-23)16-9-26-18(10-25-16)28-19(30)11-3-4-11/h5,8-11,14,17,27H,3-4,6H2,1-2H3,(H,26,28,30)/t14-/m0/s1
InChIKeyGIDDOZDGKAFFHR-AWEZNQCLSA-N
MW429.43 g/mol
LogP2.28
Rot. Bonds8

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

N-[5-[6-cyano-5-[[(2S)-1-(dimethylamino)-4,4-difluoro-1-oxobutan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide (PubChem CID 121271870) has the molecular formula C20H21F2N7O2 and a molecular weight of 429.43 g/mol. Its IUPAC name is N-[5-[6-cyano-5-[[(2S)-1-(dimethylamino)-4,4-difluoro-1-oxobutan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[6-cyano-5-[[(2S)-1-(dimethylamino)-4,4-difluoro-1-oxobutan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide
PubChem CID121271870
Molecular FormulaC20H21F2N7O2
Molecular Weight429.43 g/mol
Exact Mass429.17
IUPAC NameN-[5-[6-cyano-5-[[(2S)-1-(dimethylamino)-4,4-difluoro-1-oxobutan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide
SMILESCN(C)C(=O)[C@H](CC(F)F)Nc1cc(-c2cnc(NC(=O)C3CC3)cn2)cnc1C#N
InChIInChI=1S/C20H21F2N7O2/c1-29(2)20(31)14(6-17(21)22)27-13-5-12(8-24-15(13)7-23)16-9-26-18(10-25-16)28-19(30)11-3-4-11/h5,8-11,14,17,27H,3-4,6H2,1-2H3,(H,26,28,30)/t14-/m0/s1
InChIKeyGIDDOZDGKAFFHR-AWEZNQCLSA-N
XLogP2.28
TPSA123.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.43
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[5-[6-cyano-5-[[(2S)-1-(dimethylamino)-4,4-difluoro-1-oxobutan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[6-cyano-5-[[(2S)-1-(dimethylamino)-4,4-difluoro-1-oxobutan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[6-cyano-5-[[(2S)-1-(dimethylamino)-4,4-difluoro-1-oxobutan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide (CID 121271870) is N-[5-[6-cyano-5-[[(2S)-1-(dimethylamino)-4,4-difluoro-1-oxobutan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[6-cyano-5-[[(2S)-1-(dimethylamino)-4,4-difluoro-1-oxobutan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[6-cyano-5-[[(2S)-1-(dimethylamino)-4,4-difluoro-1-oxobutan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide is CN(C)C(=O)[C@H](CC(F)F)Nc1cc(-c2cnc(NC(=O)C3CC3)cn2)cnc1C#N.
What is the InChIKey of N-[5-[6-cyano-5-[[(2S)-1-(dimethylamino)-4,4-difluoro-1-oxobutan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide?
The InChIKey is GIDDOZDGKAFFHR-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H21F2N7O2/c1-29(2)20(31)14(6-17(21)22)27-13-5-12(8-24-15(13)7-23)16-9-26-18(10-25-16)28-19(30)11-3-4-11/h5,8-11,14,17,27H,3-4,6H2,1-2H3,(H,26,28,30)/t14-/m0/s1.
What are the key properties of N-[5-[6-cyano-5-[[(2S)-1-(dimethylamino)-4,4-difluoro-1-oxobutan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide?
N-[5-[6-cyano-5-[[(2S)-1-(dimethylamino)-4,4-difluoro-1-oxobutan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide has a molecular weight of 429.43 g/mol, XLogP of 2.28, 8 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-[[(2S)-1-(dimethylamino)-4,4-difluoro-1-oxobutan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 121271870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).