3-(5-chloro-2-methoxyanilino)-N-[2-(pyrazin-2-ylamino)ethyl]propanamide

C16H20ClN5O2 — CID 51096965

IUPAC3-(5-chloro-2-methoxyanilino)-N-[2-(pyrazin-2-ylamino)ethyl]propanamide
SMILESCOc1ccc(Cl)cc1NCCC(=O)NCCNc1cnccn1
InChIInChI=1S/C16H20ClN5O2/c1-24-14-3-2-12(17)10-13(14)19-5-4-16(23)22-9-8-21-15-11-18-6-7-20-15/h2-3,6-7,10-11,19H,4-5,8-9H2,1H3,(H,20,21)(H,22,23)
InChIKeySKIJLXHUGTYDAU-UHFFFAOYSA-N
MW349.82 g/mol
LogP2.17
Rot. Bonds9

About 3-(5-chloro-2-methoxyanilino)-N-[2-(pyrazin-2-ylamino)ethyl]propanamide

3-(5-chloro-2-methoxyanilino)-N-[2-(pyrazin-2-ylamino)ethyl]propanamide (PubChem CID 51096965) has the molecular formula C16H20ClN5O2 and a molecular weight of 349.82 g/mol. Its IUPAC name is 3-(5-chloro-2-methoxyanilino)-N-[2-(pyrazin-2-ylamino)ethyl]propanamide.

Molecular Properties

Compound Name3-(5-chloro-2-methoxyanilino)-N-[2-(pyrazin-2-ylamino)ethyl]propanamide
PubChem CID51096965
Molecular FormulaC16H20ClN5O2
Molecular Weight349.82 g/mol
Exact Mass349.13
IUPAC Name3-(5-chloro-2-methoxyanilino)-N-[2-(pyrazin-2-ylamino)ethyl]propanamide
SMILESCOc1ccc(Cl)cc1NCCC(=O)NCCNc1cnccn1
InChIInChI=1S/C16H20ClN5O2/c1-24-14-3-2-12(17)10-13(14)19-5-4-16(23)22-9-8-21-15-11-18-6-7-20-15/h2-3,6-7,10-11,19H,4-5,8-9H2,1H3,(H,20,21)(H,22,23)
InChIKeySKIJLXHUGTYDAU-UHFFFAOYSA-N
XLogP2.17
TPSA88.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methoxyanilino)-N-[2-(pyrazin-2-ylamino)ethyl]propanamide?
The IUPAC name of 3-(5-chloro-2-methoxyanilino)-N-[2-(pyrazin-2-ylamino)ethyl]propanamide (CID 51096965) is 3-(5-chloro-2-methoxyanilino)-N-[2-(pyrazin-2-ylamino)ethyl]propanamide.
What is the SMILES notation for 3-(5-chloro-2-methoxyanilino)-N-[2-(pyrazin-2-ylamino)ethyl]propanamide?
The canonical SMILES for 3-(5-chloro-2-methoxyanilino)-N-[2-(pyrazin-2-ylamino)ethyl]propanamide is COc1ccc(Cl)cc1NCCC(=O)NCCNc1cnccn1.
What is the InChIKey of 3-(5-chloro-2-methoxyanilino)-N-[2-(pyrazin-2-ylamino)ethyl]propanamide?
The InChIKey is SKIJLXHUGTYDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5O2/c1-24-14-3-2-12(17)10-13(14)19-5-4-16(23)22-9-8-21-15-11-18-6-7-20-15/h2-3,6-7,10-11,19H,4-5,8-9H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 3-(5-chloro-2-methoxyanilino)-N-[2-(pyrazin-2-ylamino)ethyl]propanamide?
3-(5-chloro-2-methoxyanilino)-N-[2-(pyrazin-2-ylamino)ethyl]propanamide has a molecular weight of 349.82 g/mol, XLogP of 2.17, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methoxyanilino)-N-[2-(pyrazin-2-ylamino)ethyl]propanamide is sourced from PubChem (CID 51096965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).