5-chloro-N-[4-(dimethylamino)butan-2-yl]pyrazine-2-carboxamide

C11H17ClN4O — CID 107257919

IUPAC5-chloro-N-[4-(dimethylamino)butan-2-yl]pyrazine-2-carboxamide
SMILESCC(CCN(C)C)NC(=O)c1cnc(Cl)cn1
InChIInChI=1S/C11H17ClN4O/c1-8(4-5-16(2)3)15-11(17)9-6-14-10(12)7-13-9/h6-8H,4-5H2,1-3H3,(H,15,17)
InChIKeyZWLALCFRZHYUMH-UHFFFAOYSA-N
MW256.74 g/mol
LogP1.20
Rot. Bonds5

About 5-chloro-N-[4-(dimethylamino)butan-2-yl]pyrazine-2-carboxamide

5-chloro-N-[4-(dimethylamino)butan-2-yl]pyrazine-2-carboxamide (PubChem CID 107257919) has the molecular formula C11H17ClN4O and a molecular weight of 256.74 g/mol. Its IUPAC name is 5-chloro-N-[4-(dimethylamino)butan-2-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-(dimethylamino)butan-2-yl]pyrazine-2-carboxamide
PubChem CID107257919
Molecular FormulaC11H17ClN4O
Molecular Weight256.74 g/mol
Exact Mass256.11
IUPAC Name5-chloro-N-[4-(dimethylamino)butan-2-yl]pyrazine-2-carboxamide
SMILESCC(CCN(C)C)NC(=O)c1cnc(Cl)cn1
InChIInChI=1S/C11H17ClN4O/c1-8(4-5-16(2)3)15-11(17)9-6-14-10(12)7-13-9/h6-8H,4-5H2,1-3H3,(H,15,17)
InChIKeyZWLALCFRZHYUMH-UHFFFAOYSA-N
XLogP1.20
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-methylsulfanylbutan-2-yl)pyrazine-2-carboxamide
CID 107257777
5-chloro-N-[1-(dimethylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide
CID 107249224
5-amino-2-chloro-N-[4-(dimethylamino)butan-2-yl]pyridine-4-carboxamide
CID 114089452
2-[(5-chloropyrazine-2-carbonyl)amino]propanoic acid
CID 107371387
5-chloro-N-[1-(diethylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide
CID 107371850
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-(1-hydroxypentan-3-yl)pyrazine-2-carboxamide
CID 107258073
5-chloro-N-(1,1-dimethoxypropan-2-yl)pyrazine-2-carboxamide
CID 107372068
3,6-dichloro-N-[4-(dimethylamino)butan-2-yl]pyridine-2-carboxamide
CID 54968177

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(dimethylamino)butan-2-yl]pyrazine-2-carboxamide?
The IUPAC name of 5-chloro-N-[4-(dimethylamino)butan-2-yl]pyrazine-2-carboxamide (CID 107257919) is 5-chloro-N-[4-(dimethylamino)butan-2-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-(dimethylamino)butan-2-yl]pyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[4-(dimethylamino)butan-2-yl]pyrazine-2-carboxamide is CC(CCN(C)C)NC(=O)c1cnc(Cl)cn1.
What is the InChIKey of 5-chloro-N-[4-(dimethylamino)butan-2-yl]pyrazine-2-carboxamide?
The InChIKey is ZWLALCFRZHYUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O/c1-8(4-5-16(2)3)15-11(17)9-6-14-10(12)7-13-9/h6-8H,4-5H2,1-3H3,(H,15,17).
What are the key properties of 5-chloro-N-[4-(dimethylamino)butan-2-yl]pyrazine-2-carboxamide?
5-chloro-N-[4-(dimethylamino)butan-2-yl]pyrazine-2-carboxamide has a molecular weight of 256.74 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(dimethylamino)butan-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 107257919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).