5-chloro-N-[2-(2-methylpropylamino)-2-oxoethyl]pyrazine-2-carboxamide

C11H15ClN4O2 — CID 107257583

IUPAC5-chloro-N-[2-(2-methylpropylamino)-2-oxoethyl]pyrazine-2-carboxamide
SMILESCC(C)CNC(=O)CNC(=O)c1cnc(Cl)cn1
InChIInChI=1S/C11H15ClN4O2/c1-7(2)3-15-10(17)6-16-11(18)8-4-14-9(12)5-13-8/h4-5,7H,3,6H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyBJBDLTZLDYZPBY-UHFFFAOYSA-N
MW270.72 g/mol
LogP0.63
Rot. Bonds5

About 5-chloro-N-[2-(2-methylpropylamino)-2-oxoethyl]pyrazine-2-carboxamide

5-chloro-N-[2-(2-methylpropylamino)-2-oxoethyl]pyrazine-2-carboxamide (PubChem CID 107257583) has the molecular formula C11H15ClN4O2 and a molecular weight of 270.72 g/mol. Its IUPAC name is 5-chloro-N-[2-(2-methylpropylamino)-2-oxoethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(2-methylpropylamino)-2-oxoethyl]pyrazine-2-carboxamide
PubChem CID107257583
Molecular FormulaC11H15ClN4O2
Molecular Weight270.72 g/mol
Exact Mass270.09
IUPAC Name5-chloro-N-[2-(2-methylpropylamino)-2-oxoethyl]pyrazine-2-carboxamide
SMILESCC(C)CNC(=O)CNC(=O)c1cnc(Cl)cn1
InChIInChI=1S/C11H15ClN4O2/c1-7(2)3-15-10(17)6-16-11(18)8-4-14-9(12)5-13-8/h4-5,7H,3,6H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyBJBDLTZLDYZPBY-UHFFFAOYSA-N
XLogP0.63
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-chloro-N-[2-(2-methylpropylamino)-2-oxoethyl]pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-N-[2-oxo-2-(propylamino)ethyl]pyrazine-2-carboxamide
CID 103803259
methyl 2-[(5-chloropyrazine-2-carbonyl)amino]acetate
CID 103817109
N-(2-amino-2-oxoethyl)-5-chloropyrazine-2-carboxamide
CID 107243491
5-chloro-N-[2-(dimethylamino)propyl]pyrazine-2-carboxamide
CID 107246707
5-chloro-N-(2,2,3-trimethylbutyl)pyrazine-2-carboxamide
CID 107258493
5,6-dichloro-N-[2-(2-methylpropylamino)-2-oxoethyl]pyridine-3-carboxamide
CID 49167384
4-[(5-chloropyrazine-2-carbonyl)amino]-2-methylbutanoic acid
CID 107371621
5-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazine-2-carboxamide
CID 103803397
2-[(6-chloro-3-pyridinyl)sulfonylamino]-N-(2-methylpropyl)acetamide
CID 49244592
5-chloro-N-[(4-propan-2-ylphenyl)methyl]pyrazine-2-carboxamide
CID 107244703
5-chloro-N-[(2S)-1-hydroxypropan-2-yl]pyrazine-2-carboxamide
CID 107258262
N-butyl-5-chloropyrazine-2-carboxamide
CID 103803228

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(2-methylpropylamino)-2-oxoethyl]pyrazine-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-(2-methylpropylamino)-2-oxoethyl]pyrazine-2-carboxamide (CID 107257583) is 5-chloro-N-[2-(2-methylpropylamino)-2-oxoethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(2-methylpropylamino)-2-oxoethyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(2-methylpropylamino)-2-oxoethyl]pyrazine-2-carboxamide is CC(C)CNC(=O)CNC(=O)c1cnc(Cl)cn1.
What is the InChIKey of 5-chloro-N-[2-(2-methylpropylamino)-2-oxoethyl]pyrazine-2-carboxamide?
The InChIKey is BJBDLTZLDYZPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O2/c1-7(2)3-15-10(17)6-16-11(18)8-4-14-9(12)5-13-8/h4-5,7H,3,6H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of 5-chloro-N-[2-(2-methylpropylamino)-2-oxoethyl]pyrazine-2-carboxamide?
5-chloro-N-[2-(2-methylpropylamino)-2-oxoethyl]pyrazine-2-carboxamide has a molecular weight of 270.72 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(2-methylpropylamino)-2-oxoethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 107257583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).