N-(5-chloropyrazin-2-yl)-3-(3-methylphenoxy)propanamide

C14H14ClN3O2 — CID 107595790

IUPACN-(5-chloropyrazin-2-yl)-3-(3-methylphenoxy)propanamide
SMILESCc1cccc(OCCC(=O)Nc2cnc(Cl)cn2)c1
InChIInChI=1S/C14H14ClN3O2/c1-10-3-2-4-11(7-10)20-6-5-14(19)18-13-9-16-12(15)8-17-13/h2-4,7-9H,5-6H2,1H3,(H,17,18,19)
InChIKeyKVNOMASMEGMWKU-UHFFFAOYSA-N
MW291.74 g/mol
LogP2.85
Rot. Bonds5

About N-(5-chloropyrazin-2-yl)-3-(3-methylphenoxy)propanamide

N-(5-chloropyrazin-2-yl)-3-(3-methylphenoxy)propanamide (PubChem CID 107595790) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is N-(5-chloropyrazin-2-yl)-3-(3-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-(5-chloropyrazin-2-yl)-3-(3-methylphenoxy)propanamide
PubChem CID107595790
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC NameN-(5-chloropyrazin-2-yl)-3-(3-methylphenoxy)propanamide
SMILESCc1cccc(OCCC(=O)Nc2cnc(Cl)cn2)c1
InChIInChI=1S/C14H14ClN3O2/c1-10-3-2-4-11(7-10)20-6-5-14(19)18-13-9-16-12(15)8-17-13/h2-4,7-9H,5-6H2,1H3,(H,17,18,19)
InChIKeyKVNOMASMEGMWKU-UHFFFAOYSA-N
XLogP2.85
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-iodo-2-pyridinyl)-3-(3-methylphenoxy)propanamide
CID 65098554
N-(4-chlorophenyl)-3-(3-methylphenoxy)propanamide
CID 7965845
3-(3-chlorophenoxy)-N-(5-methyl-2-pyridinyl)propanamide
CID 47325752
N-(6-bromo-2-methyl-3-pyridinyl)-3-(3-methylphenoxy)propanamide
CID 103909587
N-ethyl-3-(3-methylphenoxy)propanamide
CID 2129235
N-(3-chloro-4-methoxyphenyl)-3-(3-methylphenoxy)propanamide
CID 2110464
N-(2-bromo-5-methylphenyl)-3-(3-methylphenoxy)propanamide
CID 82712318
N-(2-fluorophenyl)-3-(3-methylphenoxy)propanamide
CID 9413689
N-(2-bromo-4-methylphenyl)-3-(3-methylphenoxy)propanamide
CID 17395169
N-(2-fluoro-5-methylphenyl)-3-(3-methylphenoxy)propanamide
CID 808300
N'-acetyl-3-(3-methylphenoxy)propanehydrazide
CID 30905648
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-(3-methylphenoxy)propanamide
CID 115610134

Frequently Asked Questions

What is the IUPAC name of N-(5-chloropyrazin-2-yl)-3-(3-methylphenoxy)propanamide?
The IUPAC name of N-(5-chloropyrazin-2-yl)-3-(3-methylphenoxy)propanamide (CID 107595790) is N-(5-chloropyrazin-2-yl)-3-(3-methylphenoxy)propanamide.
What is the SMILES notation for N-(5-chloropyrazin-2-yl)-3-(3-methylphenoxy)propanamide?
The canonical SMILES for N-(5-chloropyrazin-2-yl)-3-(3-methylphenoxy)propanamide is Cc1cccc(OCCC(=O)Nc2cnc(Cl)cn2)c1.
What is the InChIKey of N-(5-chloropyrazin-2-yl)-3-(3-methylphenoxy)propanamide?
The InChIKey is KVNOMASMEGMWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c1-10-3-2-4-11(7-10)20-6-5-14(19)18-13-9-16-12(15)8-17-13/h2-4,7-9H,5-6H2,1H3,(H,17,18,19).
What are the key properties of N-(5-chloropyrazin-2-yl)-3-(3-methylphenoxy)propanamide?
N-(5-chloropyrazin-2-yl)-3-(3-methylphenoxy)propanamide has a molecular weight of 291.74 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropyrazin-2-yl)-3-(3-methylphenoxy)propanamide is sourced from PubChem (CID 107595790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).