4-amino-1-cyclopropyl-N-[(4-ethylphenyl)methyl]pyrrole-2-carboxamide

C17H21N3O — CID 106899099

IUPAC4-amino-1-cyclopropyl-N-[(4-ethylphenyl)methyl]pyrrole-2-carboxamide
SMILESCCc1ccc(CNC(=O)c2cc(N)cn2C2CC2)cc1
InChIInChI=1S/C17H21N3O/c1-2-12-3-5-13(6-4-12)10-19-17(21)16-9-14(18)11-20(16)15-7-8-15/h3-6,9,11,15H,2,7-8,10,18H2,1H3,(H,19,21)
InChIKeyGQSBIEIDXUTMBX-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.90
Rot. Bonds5

About 4-amino-1-cyclopropyl-N-[(4-ethylphenyl)methyl]pyrrole-2-carboxamide

4-amino-1-cyclopropyl-N-[(4-ethylphenyl)methyl]pyrrole-2-carboxamide (PubChem CID 106899099) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 4-amino-1-cyclopropyl-N-[(4-ethylphenyl)methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-cyclopropyl-N-[(4-ethylphenyl)methyl]pyrrole-2-carboxamide
PubChem CID106899099
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name4-amino-1-cyclopropyl-N-[(4-ethylphenyl)methyl]pyrrole-2-carboxamide
SMILESCCc1ccc(CNC(=O)c2cc(N)cn2C2CC2)cc1
InChIInChI=1S/C17H21N3O/c1-2-12-3-5-13(6-4-12)10-19-17(21)16-9-14(18)11-20(16)15-7-8-15/h3-6,9,11,15H,2,7-8,10,18H2,1H3,(H,19,21)
InChIKeyGQSBIEIDXUTMBX-UHFFFAOYSA-N
XLogP2.90
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-cyclopropyl-N-[(4-methylphenyl)methyl]pyrrole-2-carboxamide
CID 43642445
4-amino-1-cyclopropyl-N-(4-ethylphenyl)pyrrole-2-carboxamide
CID 43642381
4-amino-1-cyclopropyl-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrole-2-carboxamide
CID 115988879
4-amino-1-cyclopropyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrrole-2-carboxamide
CID 106368478
4-amino-1-cyclopropyl-N-[(1-methylpyrazol-3-yl)methyl]pyrrole-2-carboxamide
CID 82881718
4-amino-1-cyclopropyl-N-(2-phenylethyl)pyrrole-2-carboxamide
CID 43642172
4-amino-1-cyclopropyl-N-(2-ethoxyethyl)pyrrole-2-carboxamide
CID 43644088
4-amino-1-cyclopropyl-N-(2,3-dimethylbutyl)pyrrole-2-carboxamide
CID 64569791
4-amino-1-cyclopropyl-N-prop-2-enylpyrrole-2-carboxamide
CID 61117214
4-amino-N-(3-amino-3-oxopropyl)-1-cyclopropylpyrrole-2-carboxamide
CID 43643776
4-amino-N-(cyclohexylmethyl)-1-cyclopropylpyrrole-2-carboxamide
CID 43643527
4-amino-1-cyclopropyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyrrole-2-carboxamide
CID 107864320

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-cyclopropyl-N-[(4-ethylphenyl)methyl]pyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-cyclopropyl-N-[(4-ethylphenyl)methyl]pyrrole-2-carboxamide (CID 106899099) is 4-amino-1-cyclopropyl-N-[(4-ethylphenyl)methyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-cyclopropyl-N-[(4-ethylphenyl)methyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-cyclopropyl-N-[(4-ethylphenyl)methyl]pyrrole-2-carboxamide is CCc1ccc(CNC(=O)c2cc(N)cn2C2CC2)cc1.
What is the InChIKey of 4-amino-1-cyclopropyl-N-[(4-ethylphenyl)methyl]pyrrole-2-carboxamide?
The InChIKey is GQSBIEIDXUTMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-2-12-3-5-13(6-4-12)10-19-17(21)16-9-14(18)11-20(16)15-7-8-15/h3-6,9,11,15H,2,7-8,10,18H2,1H3,(H,19,21).
What are the key properties of 4-amino-1-cyclopropyl-N-[(4-ethylphenyl)methyl]pyrrole-2-carboxamide?
4-amino-1-cyclopropyl-N-[(4-ethylphenyl)methyl]pyrrole-2-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-cyclopropyl-N-[(4-ethylphenyl)methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 106899099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).