4-cyano-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide

C15H15N3O3 — CID 111696533

IUPAC4-cyano-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide
SMILESCOc1cccc(C(O)CNC(=O)c2cc(C#N)c[nH]2)c1
InChIInChI=1S/C15H15N3O3/c1-21-12-4-2-3-11(6-12)14(19)9-18-15(20)13-5-10(7-16)8-17-13/h2-6,8,14,17,19H,9H2,1H3,(H,18,20)
InChIKeySSJPPFJEVKVPMZ-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.36
Rot. Bonds5

About 4-cyano-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide

4-cyano-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide (PubChem CID 111696533) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 4-cyano-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-cyano-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide
PubChem CID111696533
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name4-cyano-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide
SMILESCOc1cccc(C(O)CNC(=O)c2cc(C#N)c[nH]2)c1
InChIInChI=1S/C15H15N3O3/c1-21-12-4-2-3-11(6-12)14(19)9-18-15(20)13-5-10(7-16)8-17-13/h2-6,8,14,17,19H,9H2,1H3,(H,18,20)
InChIKeySSJPPFJEVKVPMZ-UHFFFAOYSA-N
XLogP1.36
TPSA98.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamate
CID 110663358
5-fluoro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide
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6-chloro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 111115461
3-(4-bromophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide
CID 86937596
1-cyano-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]cyclobutane-1-carboxamide
CID 111434813
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]butanamide
CID 112510090
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(methylamino)acetamide
CID 119765490
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(4-methylphenyl)acetamide
CID 110663377
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 111115593
4-cyano-N-[(2S)-2-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]-1H-pyrrole-2-carboxamide
CID 97220649
1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3-(3-methylpentan-2-yl)urea
CID 111115210
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-pyrazol-1-ylbenzamide
CID 111115502

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-cyano-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide (CID 111696533) is 4-cyano-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-cyano-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-cyano-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide is COc1cccc(C(O)CNC(=O)c2cc(C#N)c[nH]2)c1.
What is the InChIKey of 4-cyano-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide?
The InChIKey is SSJPPFJEVKVPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-21-12-4-2-3-11(6-12)14(19)9-18-15(20)13-5-10(7-16)8-17-13/h2-6,8,14,17,19H,9H2,1H3,(H,18,20).
What are the key properties of 4-cyano-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide?
4-cyano-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide has a molecular weight of 285.30 g/mol, XLogP of 1.36, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 111696533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).