N-(3-chloropyrazin-2-yl)-4-methoxy-3-methylbutanamide

C10H14ClN3O2 — CID 102989723

IUPACN-(3-chloropyrazin-2-yl)-4-methoxy-3-methylbutanamide
SMILESCOCC(C)CC(=O)Nc1nccnc1Cl
InChIInChI=1S/C10H14ClN3O2/c1-7(6-16-2)5-8(15)14-10-9(11)12-3-4-13-10/h3-4,7H,5-6H2,1-2H3,(H,13,14,15)
InChIKeyAQRLIIXCYVLROU-UHFFFAOYSA-N
MW243.69 g/mol
LogP1.74
Rot. Bonds5

About N-(3-chloropyrazin-2-yl)-4-methoxy-3-methylbutanamide

N-(3-chloropyrazin-2-yl)-4-methoxy-3-methylbutanamide (PubChem CID 102989723) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is N-(3-chloropyrazin-2-yl)-4-methoxy-3-methylbutanamide.

Molecular Properties

Compound NameN-(3-chloropyrazin-2-yl)-4-methoxy-3-methylbutanamide
PubChem CID102989723
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC NameN-(3-chloropyrazin-2-yl)-4-methoxy-3-methylbutanamide
SMILESCOCC(C)CC(=O)Nc1nccnc1Cl
InChIInChI=1S/C10H14ClN3O2/c1-7(6-16-2)5-8(15)14-10-9(11)12-3-4-13-10/h3-4,7H,5-6H2,1-2H3,(H,13,14,15)
InChIKeyAQRLIIXCYVLROU-UHFFFAOYSA-N
XLogP1.74
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloropyrazin-2-yl)-4-methoxy-3-methylbutanamide
CID 107595963
N-(2-chloro-5-methyl-3-pyridinyl)-4-methoxy-3-methylbutanamide
CID 102979772
N-(6-chloropyrazin-2-yl)-4-methoxy-3-methylbutanamide
CID 104820050
N-(3-chloropyrazin-2-yl)-2,3-dimethylbutanamide
CID 102989622
N-(3-chloropyrazin-2-yl)-2-(1-methoxycyclobutyl)acetamide
CID 103558724
N-(3-chloropyrazin-2-yl)-2-(4-methylphenyl)acetamide
CID 113228993
N-(2-amino-4-hydroxyphenyl)-4-methoxy-3-methylbutanamide
CID 107697356
3-[4-[(4-methoxy-3-methylbutanoyl)amino]phenyl]propanoic acid
CID 115339392
N-(3-chloropyrazin-2-yl)prop-2-enamide
CID 102989286
N-(4-chloro-2-pyridinyl)-3-methylpentanamide
CID 114877777
N-(3-chloro-2-pyridinyl)-3-methoxypropanamide
CID 75448204
N-(3-chloropyrazin-2-yl)but-2-ynamide
CID 107996159

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropyrazin-2-yl)-4-methoxy-3-methylbutanamide?
The IUPAC name of N-(3-chloropyrazin-2-yl)-4-methoxy-3-methylbutanamide (CID 102989723) is N-(3-chloropyrazin-2-yl)-4-methoxy-3-methylbutanamide.
What is the SMILES notation for N-(3-chloropyrazin-2-yl)-4-methoxy-3-methylbutanamide?
The canonical SMILES for N-(3-chloropyrazin-2-yl)-4-methoxy-3-methylbutanamide is COCC(C)CC(=O)Nc1nccnc1Cl.
What is the InChIKey of N-(3-chloropyrazin-2-yl)-4-methoxy-3-methylbutanamide?
The InChIKey is AQRLIIXCYVLROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2/c1-7(6-16-2)5-8(15)14-10-9(11)12-3-4-13-10/h3-4,7H,5-6H2,1-2H3,(H,13,14,15).
What are the key properties of N-(3-chloropyrazin-2-yl)-4-methoxy-3-methylbutanamide?
N-(3-chloropyrazin-2-yl)-4-methoxy-3-methylbutanamide has a molecular weight of 243.69 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropyrazin-2-yl)-4-methoxy-3-methylbutanamide is sourced from PubChem (CID 102989723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).