5-chloro-N-[1-(diethylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide

C12H17ClN4O2 — CID 107371850

IUPAC5-chloro-N-[1-(diethylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide
SMILESCCN(CC)C(=O)C(C)NC(=O)c1cnc(Cl)cn1
InChIInChI=1S/C12H17ClN4O2/c1-4-17(5-2)12(19)8(3)16-11(18)9-6-15-10(13)7-14-9/h6-8H,4-5H2,1-3H3,(H,16,18)
InChIKeyLXSKFQABNSHDBQ-UHFFFAOYSA-N
MW284.75 g/mol
LogP1.12
Rot. Bonds5

About 5-chloro-N-[1-(diethylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide

5-chloro-N-[1-(diethylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide (PubChem CID 107371850) has the molecular formula C12H17ClN4O2 and a molecular weight of 284.75 g/mol. Its IUPAC name is 5-chloro-N-[1-(diethylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[1-(diethylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide
PubChem CID107371850
Molecular FormulaC12H17ClN4O2
Molecular Weight284.75 g/mol
Exact Mass284.10
IUPAC Name5-chloro-N-[1-(diethylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide
SMILESCCN(CC)C(=O)C(C)NC(=O)c1cnc(Cl)cn1
InChIInChI=1S/C12H17ClN4O2/c1-4-17(5-2)12(19)8(3)16-11(18)9-6-15-10(13)7-14-9/h6-8H,4-5H2,1-3H3,(H,16,18)
InChIKeyLXSKFQABNSHDBQ-UHFFFAOYSA-N
XLogP1.12
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-N-[1-(diethylamino)-1-oxopropan-2-yl]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-[1-(dimethylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide
CID 107249224
2-[(5-chloropyrazine-2-carbonyl)amino]propanoic acid
CID 107371387
5-chloro-N-[(2S)-1-hydroxypropan-2-yl]pyrazine-2-carboxamide
CID 107258262
5-chloro-N-[5-(diethylamino)pentan-2-yl]pyrazine-2-carboxamide
CID 107252414
5-chloro-N-[4-(dimethylamino)butan-2-yl]pyrazine-2-carboxamide
CID 107257919
5-chloro-N-[2-(dimethylamino)propyl]pyrazine-2-carboxamide
CID 107246707
(2S)-2-[(5-chloropyrazine-2-carbonyl)amino]-3-methylbutanoic acid
CID 107371470
5-chloro-N-(4-methylsulfanylbutan-2-yl)pyrazine-2-carboxamide
CID 107257777
5-chloro-N-(1-hydroxypentan-3-yl)pyrazine-2-carboxamide
CID 107258073
5-chloro-N-(1-ethoxy-3-methylbutan-2-yl)pyrazine-2-carboxamide
CID 107258530
5-chloro-N-(1,1-dimethoxypropan-2-yl)pyrazine-2-carboxamide
CID 107372068
5-chloro-N-(1-cyanobutan-2-yl)pyrazine-2-carboxamide
CID 107258454

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(diethylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide?
The IUPAC name of 5-chloro-N-[1-(diethylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide (CID 107371850) is 5-chloro-N-[1-(diethylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[1-(diethylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[1-(diethylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide is CCN(CC)C(=O)C(C)NC(=O)c1cnc(Cl)cn1.
What is the InChIKey of 5-chloro-N-[1-(diethylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide?
The InChIKey is LXSKFQABNSHDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O2/c1-4-17(5-2)12(19)8(3)16-11(18)9-6-15-10(13)7-14-9/h6-8H,4-5H2,1-3H3,(H,16,18).
What are the key properties of 5-chloro-N-[1-(diethylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide?
5-chloro-N-[1-(diethylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide has a molecular weight of 284.75 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(diethylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 107371850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).