N-(5-chloropyrazin-2-yl)-1-(2-methoxyethyl)pyrrole-2-carboxamide

C12H13ClN4O2 — CID 107595875

IUPACN-(5-chloropyrazin-2-yl)-1-(2-methoxyethyl)pyrrole-2-carboxamide
SMILESCOCCn1cccc1C(=O)Nc1cnc(Cl)cn1
InChIInChI=1S/C12H13ClN4O2/c1-19-6-5-17-4-2-3-9(17)12(18)16-11-8-14-10(13)7-15-11/h2-4,7-8H,5-6H2,1H3,(H,15,16,18)
InChIKeyCGYZKHYWOBRIJX-UHFFFAOYSA-N
MW280.72 g/mol
LogP1.83
Rot. Bonds5

About N-(5-chloropyrazin-2-yl)-1-(2-methoxyethyl)pyrrole-2-carboxamide

N-(5-chloropyrazin-2-yl)-1-(2-methoxyethyl)pyrrole-2-carboxamide (PubChem CID 107595875) has the molecular formula C12H13ClN4O2 and a molecular weight of 280.72 g/mol. Its IUPAC name is N-(5-chloropyrazin-2-yl)-1-(2-methoxyethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloropyrazin-2-yl)-1-(2-methoxyethyl)pyrrole-2-carboxamide
PubChem CID107595875
Molecular FormulaC12H13ClN4O2
Molecular Weight280.72 g/mol
Exact Mass280.07
IUPAC NameN-(5-chloropyrazin-2-yl)-1-(2-methoxyethyl)pyrrole-2-carboxamide
SMILESCOCCn1cccc1C(=O)Nc1cnc(Cl)cn1
InChIInChI=1S/C12H13ClN4O2/c1-19-6-5-17-4-2-3-9(17)12(18)16-11-8-14-10(13)7-15-11/h2-4,7-8H,5-6H2,1H3,(H,15,16,18)
InChIKeyCGYZKHYWOBRIJX-UHFFFAOYSA-N
XLogP1.83
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.72
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N-(5-chloropyrazin-2-yl)pyrrole-2-carboxamide
CID 130175298
N-(6-bromo-2-pyridinyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 114609182
N-(2-chloro-4-iodophenyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 107606838
3-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]pyridine-4-carboxylic acid
CID 114608879
1-[1-(2-methoxyethyl)pyrrol-2-yl]ethanone
CID 45086402
3-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]propanoic acid
CID 114608589
5-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]thiophene-2-carboxylic acid
CID 114608677
1-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]cyclopropane-1-carboxylic acid
CID 114608926
N-[1-(hydroxymethyl)cyclopropyl]-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 114609814
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 112748853
N-[1-(2-methoxyethyl)pyrazol-3-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 166180657
N-[2-(1H-imidazol-5-yl)ethyl]-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 114609933

Frequently Asked Questions

What is the IUPAC name of N-(5-chloropyrazin-2-yl)-1-(2-methoxyethyl)pyrrole-2-carboxamide?
The IUPAC name of N-(5-chloropyrazin-2-yl)-1-(2-methoxyethyl)pyrrole-2-carboxamide (CID 107595875) is N-(5-chloropyrazin-2-yl)-1-(2-methoxyethyl)pyrrole-2-carboxamide.
What is the SMILES notation for N-(5-chloropyrazin-2-yl)-1-(2-methoxyethyl)pyrrole-2-carboxamide?
The canonical SMILES for N-(5-chloropyrazin-2-yl)-1-(2-methoxyethyl)pyrrole-2-carboxamide is COCCn1cccc1C(=O)Nc1cnc(Cl)cn1.
What is the InChIKey of N-(5-chloropyrazin-2-yl)-1-(2-methoxyethyl)pyrrole-2-carboxamide?
The InChIKey is CGYZKHYWOBRIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O2/c1-19-6-5-17-4-2-3-9(17)12(18)16-11-8-14-10(13)7-15-11/h2-4,7-8H,5-6H2,1H3,(H,15,16,18).
What are the key properties of N-(5-chloropyrazin-2-yl)-1-(2-methoxyethyl)pyrrole-2-carboxamide?
N-(5-chloropyrazin-2-yl)-1-(2-methoxyethyl)pyrrole-2-carboxamide has a molecular weight of 280.72 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropyrazin-2-yl)-1-(2-methoxyethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 107595875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).