4-amino-1-cyclopropyl-N-(2-phenylethyl)pyrrole-2-carboxamide

C16H19N3O — CID 43642172

IUPAC4-amino-1-cyclopropyl-N-(2-phenylethyl)pyrrole-2-carboxamide
SMILESNc1cc(C(=O)NCCc2ccccc2)n(C2CC2)c1
InChIInChI=1S/C16H19N3O/c17-13-10-15(19(11-13)14-6-7-14)16(20)18-9-8-12-4-2-1-3-5-12/h1-5,10-11,14H,6-9,17H2,(H,18,20)
InChIKeyFEXAIACVRMIQGV-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.38
Rot. Bonds5

About 4-amino-1-cyclopropyl-N-(2-phenylethyl)pyrrole-2-carboxamide

4-amino-1-cyclopropyl-N-(2-phenylethyl)pyrrole-2-carboxamide (PubChem CID 43642172) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 4-amino-1-cyclopropyl-N-(2-phenylethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-cyclopropyl-N-(2-phenylethyl)pyrrole-2-carboxamide
PubChem CID43642172
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name4-amino-1-cyclopropyl-N-(2-phenylethyl)pyrrole-2-carboxamide
SMILESNc1cc(C(=O)NCCc2ccccc2)n(C2CC2)c1
InChIInChI=1S/C16H19N3O/c17-13-10-15(19(11-13)14-6-7-14)16(20)18-9-8-12-4-2-1-3-5-12/h1-5,10-11,14H,6-9,17H2,(H,18,20)
InChIKeyFEXAIACVRMIQGV-UHFFFAOYSA-N
XLogP2.38
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(3-amino-3-oxopropyl)-1-cyclopropylpyrrole-2-carboxamide
CID 43643776
benzyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 61308860
4-amino-1-cyclopropyl-N-[(4-ethylphenyl)methyl]pyrrole-2-carboxamide
CID 106899099
4-amino-1-cyclopropyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrrole-2-carboxamide
CID 106391502
4-amino-1-cyclopropyl-N-[(4-methylphenyl)methyl]pyrrole-2-carboxamide
CID 43642445
4-amino-1-cyclopropyl-N-(2-ethoxyethyl)pyrrole-2-carboxamide
CID 43644088
4-bromo-1-cyclopropyl-N-[2-(4-hydroxyphenyl)ethyl]pyrrole-2-carboxamide
CID 61018427
4-amino-1-cyclopropyl-N-hex-5-ynylpyrrole-2-carboxamide
CID 114158303
4-amino-1-cyclopropyl-N-prop-2-enylpyrrole-2-carboxamide
CID 61117214
4-amino-1-cyclopropyl-N-(3-methylsulfanylbutyl)pyrrole-2-carboxamide
CID 113493826
4-amino-N-(cyclohexylmethyl)-1-cyclopropylpyrrole-2-carboxamide
CID 43643527
4-amino-1-cyclopropyl-N-(2,3-dimethylbutyl)pyrrole-2-carboxamide
CID 64569791

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-cyclopropyl-N-(2-phenylethyl)pyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-cyclopropyl-N-(2-phenylethyl)pyrrole-2-carboxamide (CID 43642172) is 4-amino-1-cyclopropyl-N-(2-phenylethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-cyclopropyl-N-(2-phenylethyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-cyclopropyl-N-(2-phenylethyl)pyrrole-2-carboxamide is Nc1cc(C(=O)NCCc2ccccc2)n(C2CC2)c1.
What is the InChIKey of 4-amino-1-cyclopropyl-N-(2-phenylethyl)pyrrole-2-carboxamide?
The InChIKey is FEXAIACVRMIQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c17-13-10-15(19(11-13)14-6-7-14)16(20)18-9-8-12-4-2-1-3-5-12/h1-5,10-11,14H,6-9,17H2,(H,18,20).
What are the key properties of 4-amino-1-cyclopropyl-N-(2-phenylethyl)pyrrole-2-carboxamide?
4-amino-1-cyclopropyl-N-(2-phenylethyl)pyrrole-2-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 2.38, 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-(2-phenylethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 43642172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).