N-[5-(6-cyano-5-fluoro-3-pyridinyl)pyrazin-2-yl]cyclobutanecarboxamide

C15H12FN5O — CID 121271978

IUPACN-[5-(6-cyano-5-fluoro-3-pyridinyl)pyrazin-2-yl]cyclobutanecarboxamide
SMILESN#Cc1ncc(-c2cnc(NC(=O)C3CCC3)cn2)cc1F
InChIInChI=1S/C15H12FN5O/c16-11-4-10(6-18-12(11)5-17)13-7-20-14(8-19-13)21-15(22)9-2-1-3-9/h4,6-9H,1-3H2,(H,20,21,22)
InChIKeyQZDIDYFRGOLCBV-UHFFFAOYSA-N
MW297.29 g/mol
LogP2.29
Rot. Bonds3

About N-[5-(6-cyano-5-fluoro-3-pyridinyl)pyrazin-2-yl]cyclobutanecarboxamide

N-[5-(6-cyano-5-fluoro-3-pyridinyl)pyrazin-2-yl]cyclobutanecarboxamide (PubChem CID 121271978) has the molecular formula C15H12FN5O and a molecular weight of 297.29 g/mol. Its IUPAC name is N-[5-(6-cyano-5-fluoro-3-pyridinyl)pyrazin-2-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[5-(6-cyano-5-fluoro-3-pyridinyl)pyrazin-2-yl]cyclobutanecarboxamide
PubChem CID121271978
Molecular FormulaC15H12FN5O
Molecular Weight297.29 g/mol
Exact Mass297.10
IUPAC NameN-[5-(6-cyano-5-fluoro-3-pyridinyl)pyrazin-2-yl]cyclobutanecarboxamide
SMILESN#Cc1ncc(-c2cnc(NC(=O)C3CCC3)cn2)cc1F
InChIInChI=1S/C15H12FN5O/c16-11-4-10(6-18-12(11)5-17)13-7-20-14(8-19-13)21-15(22)9-2-1-3-9/h4,6-9H,1-3H2,(H,20,21,22)
InChIKeyQZDIDYFRGOLCBV-UHFFFAOYSA-N
XLogP2.29
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[[2-cyano-5-[5-(cyclobutanecarbonylamino)pyrazin-2-yl]-3-pyridinyl]amino]propanoic acid
CID 121271990
N-[5-[6-cyano-5-[[(2S,3S)-1-(dimethylamino)-3-hydroxy-1-oxobutan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide
CID 121279524
2-[[2-cyano-5-[5-(cyclopropanecarbonylamino)pyrazin-2-yl]-3-pyridinyl]amino]-1-(difluoromethyl)-N,N-dimethylaziridine-2-carboxamide
CID 145061283
N-[5-[6-cyano-5-[[(2S)-1-[cyclopropylmethyl(methyl)amino]-1-oxopropan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide
CID 121279841
N-[5-[6-cyano-5-[[4,4-difluoro-1-[2-fluoroethyl(methyl)amino]-1-oxobutan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide
CID 121272024
N-[5-[6-cyano-5-[[(2S)-1-[2-fluoroethyl(methyl)amino]-3-oxopropan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide
CID 121271885
N-[5-[6-cyano-5-[[1-[2-fluoroethyl(methyl)amino]-3-oxopropan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide
CID 121271889
N-[5-[6-cyano-5-[[(2R,3S)-2-(dimethylamino)-3-hydroxy-1-oxobutan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide
CID 121271873
N-[5-[6-cyano-5-[[2-(3-methylmorpholin-4-yl)-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide
CID 121271891
N-[5-[6-cyano-5-[[(2S)-1-[2-hydroxyethyl(methyl)amino]-4-oxobutan-2-yl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide
CID 121272070
N-[5-[4-cyano-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]phenyl]pyrazin-2-yl]cyclopropanecarboxamide
CID 121272179
N-[7-(2-cyano-5-fluoro-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 57410357

Frequently Asked Questions

What is the IUPAC name of N-[5-(6-cyano-5-fluoro-3-pyridinyl)pyrazin-2-yl]cyclobutanecarboxamide?
The IUPAC name of N-[5-(6-cyano-5-fluoro-3-pyridinyl)pyrazin-2-yl]cyclobutanecarboxamide (CID 121271978) is N-[5-(6-cyano-5-fluoro-3-pyridinyl)pyrazin-2-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[5-(6-cyano-5-fluoro-3-pyridinyl)pyrazin-2-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[5-(6-cyano-5-fluoro-3-pyridinyl)pyrazin-2-yl]cyclobutanecarboxamide is N#Cc1ncc(-c2cnc(NC(=O)C3CCC3)cn2)cc1F.
What is the InChIKey of N-[5-(6-cyano-5-fluoro-3-pyridinyl)pyrazin-2-yl]cyclobutanecarboxamide?
The InChIKey is QZDIDYFRGOLCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN5O/c16-11-4-10(6-18-12(11)5-17)13-7-20-14(8-19-13)21-15(22)9-2-1-3-9/h4,6-9H,1-3H2,(H,20,21,22).
What are the key properties of N-[5-(6-cyano-5-fluoro-3-pyridinyl)pyrazin-2-yl]cyclobutanecarboxamide?
N-[5-(6-cyano-5-fluoro-3-pyridinyl)pyrazin-2-yl]cyclobutanecarboxamide has a molecular weight of 297.29 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(6-cyano-5-fluoro-3-pyridinyl)pyrazin-2-yl]cyclobutanecarboxamide is sourced from PubChem (CID 121271978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).