N-[2-(1H-imidazol-5-yl)ethyl]-1-(2-methoxyethyl)pyrrole-2-carboxamide

C13H18N4O2 — CID 114609933

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-1-(2-methoxyethyl)pyrrole-2-carboxamide
SMILESCOCCn1cccc1C(=O)NCCc1cnc[nH]1
InChIInChI=1S/C13H18N4O2/c1-19-8-7-17-6-2-3-12(17)13(18)15-5-4-11-9-14-10-16-11/h2-3,6,9-10H,4-5,7-8H2,1H3,(H,14,16)(H,15,18)
InChIKeyKJRVYPJHVAVQBK-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.83
Rot. Bonds7

About N-[2-(1H-imidazol-5-yl)ethyl]-1-(2-methoxyethyl)pyrrole-2-carboxamide

N-[2-(1H-imidazol-5-yl)ethyl]-1-(2-methoxyethyl)pyrrole-2-carboxamide (PubChem CID 114609933) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-1-(2-methoxyethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-1-(2-methoxyethyl)pyrrole-2-carboxamide
PubChem CID114609933
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-1-(2-methoxyethyl)pyrrole-2-carboxamide
SMILESCOCCn1cccc1C(=O)NCCc1cnc[nH]1
InChIInChI=1S/C13H18N4O2/c1-19-8-7-17-6-2-3-12(17)13(18)15-5-4-11-9-14-10-16-11/h2-3,6,9-10H,4-5,7-8H2,1H3,(H,14,16)(H,15,18)
InChIKeyKJRVYPJHVAVQBK-UHFFFAOYSA-N
XLogP0.83
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]pyrrole-2-carboxamide
CID 65231356
N-[2-(1H-imidazol-5-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 65231406
3-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]propanoic acid
CID 114608589
1-(2-methoxyethyl)-N-pent-4-ynylpyrrole-2-carboxamide
CID 106223251
2-amino-N-[2-(1H-imidazol-5-yl)ethyl]-4-methoxybutanamide
CID 65232146
5-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]-2-methylpentanoic acid
CID 114609134
1-[1-(2-methoxyethyl)pyrrol-2-yl]ethanone
CID 45086402
N-[2-(1H-imidazol-5-yl)ethyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide
CID 172664011
N-(2,3-dihydroxy-2-methylpropyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 114609704
N-(3-amino-2-hydroxy-3-oxopropyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 114152525
N-(5-chloropyrazin-2-yl)-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 107595875
N-[2-(1H-imidazol-5-yl)ethyl]-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 65231546

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-1-(2-methoxyethyl)pyrrole-2-carboxamide?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-1-(2-methoxyethyl)pyrrole-2-carboxamide (CID 114609933) is N-[2-(1H-imidazol-5-yl)ethyl]-1-(2-methoxyethyl)pyrrole-2-carboxamide.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-1-(2-methoxyethyl)pyrrole-2-carboxamide?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-1-(2-methoxyethyl)pyrrole-2-carboxamide is COCCn1cccc1C(=O)NCCc1cnc[nH]1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-1-(2-methoxyethyl)pyrrole-2-carboxamide?
The InChIKey is KJRVYPJHVAVQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-19-8-7-17-6-2-3-12(17)13(18)15-5-4-11-9-14-10-16-11/h2-3,6,9-10H,4-5,7-8H2,1H3,(H,14,16)(H,15,18).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-1-(2-methoxyethyl)pyrrole-2-carboxamide?
N-[2-(1H-imidazol-5-yl)ethyl]-1-(2-methoxyethyl)pyrrole-2-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 0.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-1-(2-methoxyethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 114609933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).