4-amino-1-ethyl-N-[(3-methoxyphenyl)methyl]pyrrole-2-carboxamide

C15H19N3O2 — CID 61028915

IUPAC4-amino-1-ethyl-N-[(3-methoxyphenyl)methyl]pyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)NCc1cccc(OC)c1
InChIInChI=1S/C15H19N3O2/c1-3-18-10-12(16)8-14(18)15(19)17-9-11-5-4-6-13(7-11)20-2/h4-8,10H,3,9,16H2,1-2H3,(H,17,19)
InChIKeyZULDFUBNNBDKSC-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.03
Rot. Bonds5

About 4-amino-1-ethyl-N-[(3-methoxyphenyl)methyl]pyrrole-2-carboxamide

4-amino-1-ethyl-N-[(3-methoxyphenyl)methyl]pyrrole-2-carboxamide (PubChem CID 61028915) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-[(3-methoxyphenyl)methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-[(3-methoxyphenyl)methyl]pyrrole-2-carboxamide
PubChem CID61028915
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name4-amino-1-ethyl-N-[(3-methoxyphenyl)methyl]pyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)NCc1cccc(OC)c1
InChIInChI=1S/C15H19N3O2/c1-3-18-10-12(16)8-14(18)15(19)17-9-11-5-4-6-13(7-11)20-2/h4-8,10H,3,9,16H2,1-2H3,(H,17,19)
InChIKeyZULDFUBNNBDKSC-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-ethyl-N-[2-(3-methoxyphenyl)ethyl]pyrrole-2-carboxamide
CID 107843317
4-amino-1-ethyl-N-[(3-methylphenyl)methyl]pyrrole-2-carboxamide
CID 54944283
4-amino-1-ethyl-N-[(3-methoxyphenyl)methyl]-N-methylpyrrole-2-carboxamide
CID 61116342
4-amino-N-[(4-bromophenyl)methyl]-1-ethylpyrrole-2-carboxamide
CID 60779952
3,5-diamino-N-[(3-methoxyphenyl)methyl]benzamide
CID 61102924
4-amino-N-[(3-fluorophenyl)methyl]-1-propylpyrrole-2-carboxamide
CID 43643225
1-N-[(3-aminophenyl)methyl]-3-N-[(3-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10293708
4-amino-N-(3-ethoxyphenyl)-1-ethylpyrrole-2-carboxamide
CID 61103176
N'-[(3-methoxyphenyl)methyl]oxamide
CID 69052749
4-chloro-1-ethyl-N-[(3-hydroxyphenyl)methyl]pyrrole-2-carboxamide
CID 54903799
3-amino-N-[(3-methoxyphenyl)methyl]-4-methylbenzamide
CID 60873375
4-amino-N-[(2,5-difluorophenyl)methyl]-1-ethylpyrrole-2-carboxamide
CID 63793724

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-[(3-methoxyphenyl)methyl]pyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-[(3-methoxyphenyl)methyl]pyrrole-2-carboxamide (CID 61028915) is 4-amino-1-ethyl-N-[(3-methoxyphenyl)methyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-[(3-methoxyphenyl)methyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-[(3-methoxyphenyl)methyl]pyrrole-2-carboxamide is CCn1cc(N)cc1C(=O)NCc1cccc(OC)c1.
What is the InChIKey of 4-amino-1-ethyl-N-[(3-methoxyphenyl)methyl]pyrrole-2-carboxamide?
The InChIKey is ZULDFUBNNBDKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-18-10-12(16)8-14(18)15(19)17-9-11-5-4-6-13(7-11)20-2/h4-8,10H,3,9,16H2,1-2H3,(H,17,19).
What are the key properties of 4-amino-1-ethyl-N-[(3-methoxyphenyl)methyl]pyrrole-2-carboxamide?
4-amino-1-ethyl-N-[(3-methoxyphenyl)methyl]pyrrole-2-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-[(3-methoxyphenyl)methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 61028915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).