N-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-2-methoxyacetamide

C18H16ClN5O2 — CID 5330373

IUPACN-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1cncc(-c2cncc(Nc3cccc(Cl)c3)n2)c1
InChIInChI=1S/C18H16ClN5O2/c1-26-11-18(25)23-15-5-12(7-20-8-15)16-9-21-10-17(24-16)22-14-4-2-3-13(19)6-14/h2-10H,11H2,1H3,(H,22,24)(H,23,25)
InChIKeyJJEKRZADDFLKDS-UHFFFAOYSA-N
MW369.81 g/mol
LogP3.52
Rot. Bonds6

About N-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-2-methoxyacetamide

N-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-2-methoxyacetamide (PubChem CID 5330373) has the molecular formula C18H16ClN5O2 and a molecular weight of 369.81 g/mol. Its IUPAC name is N-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-2-methoxyacetamide
PubChem CID5330373
Molecular FormulaC18H16ClN5O2
Molecular Weight369.81 g/mol
Exact Mass369.10
IUPAC NameN-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1cncc(-c2cncc(Nc3cccc(Cl)c3)n2)c1
InChIInChI=1S/C18H16ClN5O2/c1-26-11-18(25)23-15-5-12(7-20-8-15)16-9-21-10-17(24-16)22-14-4-2-3-13(19)6-14/h2-10H,11H2,1H3,(H,22,24)(H,23,25)
InChIKeyJJEKRZADDFLKDS-UHFFFAOYSA-N
XLogP3.52
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-2-methoxyacetamide?
The IUPAC name of N-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-2-methoxyacetamide (CID 5330373) is N-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-2-methoxyacetamide.
What is the SMILES notation for N-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-2-methoxyacetamide?
The canonical SMILES for N-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-2-methoxyacetamide is COCC(=O)Nc1cncc(-c2cncc(Nc3cccc(Cl)c3)n2)c1.
What is the InChIKey of N-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-2-methoxyacetamide?
The InChIKey is JJEKRZADDFLKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5O2/c1-26-11-18(25)23-15-5-12(7-20-8-15)16-9-21-10-17(24-16)22-14-4-2-3-13(19)6-14/h2-10H,11H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-2-methoxyacetamide?
N-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-2-methoxyacetamide has a molecular weight of 369.81 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-2-methoxyacetamide is sourced from PubChem (CID 5330373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).