5-chloro-N-(1-hydroxypentan-3-yl)pyrazine-2-carboxamide

C10H14ClN3O2 — CID 107258073

IUPAC5-chloro-N-(1-hydroxypentan-3-yl)pyrazine-2-carboxamide
SMILESCCC(CCO)NC(=O)c1cnc(Cl)cn1
InChIInChI=1S/C10H14ClN3O2/c1-2-7(3-4-15)14-10(16)8-5-13-9(11)6-12-8/h5-7,15H,2-4H2,1H3,(H,14,16)
InChIKeyXSKGKDYWUVMXRN-UHFFFAOYSA-N
MW243.69 g/mol
LogP1.02
Rot. Bonds5

About 5-chloro-N-(1-hydroxypentan-3-yl)pyrazine-2-carboxamide

5-chloro-N-(1-hydroxypentan-3-yl)pyrazine-2-carboxamide (PubChem CID 107258073) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is 5-chloro-N-(1-hydroxypentan-3-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(1-hydroxypentan-3-yl)pyrazine-2-carboxamide
PubChem CID107258073
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC Name5-chloro-N-(1-hydroxypentan-3-yl)pyrazine-2-carboxamide
SMILESCCC(CCO)NC(=O)c1cnc(Cl)cn1
InChIInChI=1S/C10H14ClN3O2/c1-2-7(3-4-15)14-10(16)8-5-13-9(11)6-12-8/h5-7,15H,2-4H2,1H3,(H,14,16)
InChIKeyXSKGKDYWUVMXRN-UHFFFAOYSA-N
XLogP1.02
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(1-hydroxyhexan-2-yl)pyrazine-2-carboxamide
CID 122604026
5-chloro-N-(1-cyanobutan-2-yl)pyrazine-2-carboxamide
CID 107258454
5-chloro-N-[(2S)-1-hydroxypropan-2-yl]pyrazine-2-carboxamide
CID 107258262
2-[(5-chloropyrazine-2-carbonyl)amino]propanoic acid
CID 107371387
5-chloro-N-[4-(dimethylamino)butan-2-yl]pyrazine-2-carboxamide
CID 107257919
3-[(5-chloropyrazine-2-carbonyl)amino]-5,5-dimethylhexanoic acid
CID 107371683
2-[(5-chloropyrazine-2-carbonyl)amino]-3-hydroxypropanoic acid
CID 107371398
5-chloro-N-(4-methylsulfanylbutan-2-yl)pyrazine-2-carboxamide
CID 107257777
5-chloro-N-[(2R)-1-hydroxybutan-2-yl]pyridine-2-carboxamide
CID 103920023
5-chloro-N-[1-(diethylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide
CID 107371850
5-chloro-N-[5-(diethylamino)pentan-2-yl]pyrazine-2-carboxamide
CID 107252414
N-butyl-5-chloropyrazine-2-carboxamide
CID 103803228

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-hydroxypentan-3-yl)pyrazine-2-carboxamide?
The IUPAC name of 5-chloro-N-(1-hydroxypentan-3-yl)pyrazine-2-carboxamide (CID 107258073) is 5-chloro-N-(1-hydroxypentan-3-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(1-hydroxypentan-3-yl)pyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-N-(1-hydroxypentan-3-yl)pyrazine-2-carboxamide is CCC(CCO)NC(=O)c1cnc(Cl)cn1.
What is the InChIKey of 5-chloro-N-(1-hydroxypentan-3-yl)pyrazine-2-carboxamide?
The InChIKey is XSKGKDYWUVMXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2/c1-2-7(3-4-15)14-10(16)8-5-13-9(11)6-12-8/h5-7,15H,2-4H2,1H3,(H,14,16).
What are the key properties of 5-chloro-N-(1-hydroxypentan-3-yl)pyrazine-2-carboxamide?
5-chloro-N-(1-hydroxypentan-3-yl)pyrazine-2-carboxamide has a molecular weight of 243.69 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-hydroxypentan-3-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 107258073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).