4-amino-N-(3-ethoxyphenyl)-1-ethylpyrrole-2-carboxamide

C15H19N3O2 — CID 61103176

IUPAC4-amino-N-(3-ethoxyphenyl)-1-ethylpyrrole-2-carboxamide
SMILESCCOc1cccc(NC(=O)c2cc(N)cn2CC)c1
InChIInChI=1S/C15H19N3O2/c1-3-18-10-11(16)8-14(18)15(19)17-12-6-5-7-13(9-12)20-4-2/h5-10H,3-4,16H2,1-2H3,(H,17,19)
InChIKeyMFCHYLICWATMBT-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.74
Rot. Bonds5

About 4-amino-N-(3-ethoxyphenyl)-1-ethylpyrrole-2-carboxamide

4-amino-N-(3-ethoxyphenyl)-1-ethylpyrrole-2-carboxamide (PubChem CID 61103176) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-amino-N-(3-ethoxyphenyl)-1-ethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-ethoxyphenyl)-1-ethylpyrrole-2-carboxamide
PubChem CID61103176
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name4-amino-N-(3-ethoxyphenyl)-1-ethylpyrrole-2-carboxamide
SMILESCCOc1cccc(NC(=O)c2cc(N)cn2CC)c1
InChIInChI=1S/C15H19N3O2/c1-3-18-10-11(16)8-14(18)15(19)17-12-6-5-7-13(9-12)20-4-2/h5-10H,3-4,16H2,1-2H3,(H,17,19)
InChIKeyMFCHYLICWATMBT-UHFFFAOYSA-N
XLogP2.74
TPSA69.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(4-amino-1-ethylpyrrole-2-carbonyl)amino]benzoate
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4-amino-N-(3-chloro-4-methoxyphenyl)-1-ethylpyrrole-2-carboxamide
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4-amino-1-ethyl-N-[4-(trifluoromethyl)phenyl]pyrrole-2-carboxamide
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2-amino-N-(3-ethoxyphenyl)-3-methylbenzamide
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CID 81394304
4-amino-1-ethyl-N-[(3-methoxyphenyl)methyl]pyrrole-2-carboxamide
CID 61028915
4-amino-N-(1-benzothiophen-5-yl)-1-ethylpyrrole-2-carboxamide
CID 65475007
N-(3-ethoxyphenyl)-2-hydrazinylbenzamide
CID 62247314
4-carbamothioyl-N-(3-ethoxyphenyl)benzamide
CID 61242679
3-amino-4-chloro-N-(3-ethoxyphenyl)benzamide
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CID 81094945

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-ethoxyphenyl)-1-ethylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(3-ethoxyphenyl)-1-ethylpyrrole-2-carboxamide (CID 61103176) is 4-amino-N-(3-ethoxyphenyl)-1-ethylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(3-ethoxyphenyl)-1-ethylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(3-ethoxyphenyl)-1-ethylpyrrole-2-carboxamide is CCOc1cccc(NC(=O)c2cc(N)cn2CC)c1.
What is the InChIKey of 4-amino-N-(3-ethoxyphenyl)-1-ethylpyrrole-2-carboxamide?
The InChIKey is MFCHYLICWATMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-18-10-11(16)8-14(18)15(19)17-12-6-5-7-13(9-12)20-4-2/h5-10H,3-4,16H2,1-2H3,(H,17,19).
What are the key properties of 4-amino-N-(3-ethoxyphenyl)-1-ethylpyrrole-2-carboxamide?
4-amino-N-(3-ethoxyphenyl)-1-ethylpyrrole-2-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-ethoxyphenyl)-1-ethylpyrrole-2-carboxamide is sourced from PubChem (CID 61103176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).