2-amino-5-(5-ethyl-2-methoxyphenyl)-1H-pyrrole-3-carboxamide;formamide

C15H20N4O3 — CID 145464622

IUPAC2-amino-5-(5-ethyl-2-methoxyphenyl)-1H-pyrrole-3-carboxamide;formamide
SMILESCCc1ccc(OC)c(-c2cc(C(N)=O)c(N)[nH]2)c1.NC=O
InChIInChI=1S/C14H17N3O2.CH3NO/c1-3-8-4-5-12(19-2)9(6-8)11-7-10(14(16)18)13(15)17-11;2-1-3/h4-7,17H,3,15H2,1-2H3,(H2,16,18);1H,(H2,2,3)
InChIKeyQRGJIRGXPWHBOA-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.04
Rot. Bonds4

About 2-amino-5-(5-ethyl-2-methoxyphenyl)-1H-pyrrole-3-carboxamide;formamide

2-amino-5-(5-ethyl-2-methoxyphenyl)-1H-pyrrole-3-carboxamide;formamide (PubChem CID 145464622) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-amino-5-(5-ethyl-2-methoxyphenyl)-1H-pyrrole-3-carboxamide;formamide.

Molecular Properties

Compound Name2-amino-5-(5-ethyl-2-methoxyphenyl)-1H-pyrrole-3-carboxamide;formamide
PubChem CID145464622
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name2-amino-5-(5-ethyl-2-methoxyphenyl)-1H-pyrrole-3-carboxamide;formamide
SMILESCCc1ccc(OC)c(-c2cc(C(N)=O)c(N)[nH]2)c1.NC=O
InChIInChI=1S/C14H17N3O2.CH3NO/c1-3-8-4-5-12(19-2)9(6-8)11-7-10(14(16)18)13(15)17-11;2-1-3/h4-7,17H,3,15H2,1-2H3,(H2,16,18);1H,(H2,2,3)
InChIKeyQRGJIRGXPWHBOA-UHFFFAOYSA-N
XLogP1.04
TPSA137.22 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-(4-chloro-3-methoxyphenyl)-1H-pyrrole-3-carboxamide
CID 175262677
1-[5-(5-ethyl-2-methoxyphenyl)-1H-imidazol-2-yl]propan-2-one
CID 116880798
2-(carbamoylamino)-5-(5-ethyl-2-hydroxyphenyl)-1H-pyrrole-3-carboxamide
CID 145464595
2-amino-5-(5-ethyl-2-methoxyphenyl)thiophene-3-carboxylic acid
CID 98020866
5-(5-ethyl-2-methoxyphenyl)-1H-pyrazole
CID 116869035
5-ethyl-2-methoxybenzoic acid
CID 20721149
3-amino-1-(5-ethyl-2-methoxyphenyl)-2,2-dimethylpropan-1-one
CID 116915679
2-[5-(5-ethyl-2-methoxyphenyl)-1H-imidazol-2-yl]propan-1-amine
CID 116876649
4-ethyl-2-methoxybenzoic acid
CID 18687349
2-(2-chloroethyl)-5-(5-ethyl-2-methoxyphenyl)-1H-imidazole
CID 116878196
1-[2-(3,4-dimethoxyphenyl)ethyl]-5-ethyl-2-methylpyrrole-3-carboxamide
CID 3723849
2-[4-(5-ethyl-2-methoxyphenyl)-1,3-thiazol-2-yl]acetaldehyde
CID 116968837

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(5-ethyl-2-methoxyphenyl)-1H-pyrrole-3-carboxamide;formamide?
The IUPAC name of 2-amino-5-(5-ethyl-2-methoxyphenyl)-1H-pyrrole-3-carboxamide;formamide (CID 145464622) is 2-amino-5-(5-ethyl-2-methoxyphenyl)-1H-pyrrole-3-carboxamide;formamide.
What is the SMILES notation for 2-amino-5-(5-ethyl-2-methoxyphenyl)-1H-pyrrole-3-carboxamide;formamide?
The canonical SMILES for 2-amino-5-(5-ethyl-2-methoxyphenyl)-1H-pyrrole-3-carboxamide;formamide is CCc1ccc(OC)c(-c2cc(C(N)=O)c(N)[nH]2)c1.NC=O.
What is the InChIKey of 2-amino-5-(5-ethyl-2-methoxyphenyl)-1H-pyrrole-3-carboxamide;formamide?
The InChIKey is QRGJIRGXPWHBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2.CH3NO/c1-3-8-4-5-12(19-2)9(6-8)11-7-10(14(16)18)13(15)17-11;2-1-3/h4-7,17H,3,15H2,1-2H3,(H2,16,18);1H,(H2,2,3).
What are the key properties of 2-amino-5-(5-ethyl-2-methoxyphenyl)-1H-pyrrole-3-carboxamide;formamide?
2-amino-5-(5-ethyl-2-methoxyphenyl)-1H-pyrrole-3-carboxamide;formamide has a molecular weight of 304.35 g/mol, XLogP of 1.04, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(5-ethyl-2-methoxyphenyl)-1H-pyrrole-3-carboxamide;formamide is sourced from PubChem (CID 145464622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).