5-chloro-N-(1-cyanobutan-2-yl)pyrazine-2-carboxamide

C10H11ClN4O — CID 107258454

IUPAC5-chloro-N-(1-cyanobutan-2-yl)pyrazine-2-carboxamide
SMILESCCC(CC#N)NC(=O)c1cnc(Cl)cn1
InChIInChI=1S/C10H11ClN4O/c1-2-7(3-4-12)15-10(16)8-5-14-9(11)6-13-8/h5-7H,2-3H2,1H3,(H,15,16)
InChIKeyPKPKJFAHBLNRSX-UHFFFAOYSA-N
MW238.68 g/mol
LogP1.55
Rot. Bonds4

About 5-chloro-N-(1-cyanobutan-2-yl)pyrazine-2-carboxamide

5-chloro-N-(1-cyanobutan-2-yl)pyrazine-2-carboxamide (PubChem CID 107258454) has the molecular formula C10H11ClN4O and a molecular weight of 238.68 g/mol. Its IUPAC name is 5-chloro-N-(1-cyanobutan-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(1-cyanobutan-2-yl)pyrazine-2-carboxamide
PubChem CID107258454
Molecular FormulaC10H11ClN4O
Molecular Weight238.68 g/mol
Exact Mass238.06
IUPAC Name5-chloro-N-(1-cyanobutan-2-yl)pyrazine-2-carboxamide
SMILESCCC(CC#N)NC(=O)c1cnc(Cl)cn1
InChIInChI=1S/C10H11ClN4O/c1-2-7(3-4-12)15-10(16)8-5-14-9(11)6-13-8/h5-7H,2-3H2,1H3,(H,15,16)
InChIKeyPKPKJFAHBLNRSX-UHFFFAOYSA-N
XLogP1.55
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.68
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(1-hydroxypentan-3-yl)pyrazine-2-carboxamide
CID 107258073
5-chloro-N-(1-hydroxyhexan-2-yl)pyrazine-2-carboxamide
CID 122604026
5-chloro-N-[(2S)-1-hydroxypropan-2-yl]pyrazine-2-carboxamide
CID 107258262
3-[(5-chloropyrazine-2-carbonyl)amino]-5,5-dimethylhexanoic acid
CID 107371683
4-chloro-N-(1-cyanobutan-2-yl)quinoline-2-carboxamide
CID 63376390
2-[(5-chloropyrazine-2-carbonyl)amino]propanoic acid
CID 107371387
N-(1-cyanobutan-2-yl)pyridine-4-carboxamide
CID 62648128
5-chloro-N-[1-(diethylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide
CID 107371850
4-bromo-2-chloro-N-(1-cyanobutan-2-yl)benzamide
CID 62646522
5-chloro-N-[4-(dimethylamino)butan-2-yl]pyrazine-2-carboxamide
CID 107257919
2,3-dichloro-N-(1-cyanobutan-2-yl)benzamide
CID 55101832
3-bromo-5-chloro-N-(1-cyanobutan-2-yl)benzamide
CID 104694810

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-cyanobutan-2-yl)pyrazine-2-carboxamide?
The IUPAC name of 5-chloro-N-(1-cyanobutan-2-yl)pyrazine-2-carboxamide (CID 107258454) is 5-chloro-N-(1-cyanobutan-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(1-cyanobutan-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-N-(1-cyanobutan-2-yl)pyrazine-2-carboxamide is CCC(CC#N)NC(=O)c1cnc(Cl)cn1.
What is the InChIKey of 5-chloro-N-(1-cyanobutan-2-yl)pyrazine-2-carboxamide?
The InChIKey is PKPKJFAHBLNRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O/c1-2-7(3-4-12)15-10(16)8-5-14-9(11)6-13-8/h5-7H,2-3H2,1H3,(H,15,16).
What are the key properties of 5-chloro-N-(1-cyanobutan-2-yl)pyrazine-2-carboxamide?
5-chloro-N-(1-cyanobutan-2-yl)pyrazine-2-carboxamide has a molecular weight of 238.68 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-cyanobutan-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 107258454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).