4-amino-N-[1-(5-methylfuran-2-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide

C15H21N3O2 — CID 61141048

IUPAC4-amino-N-[1-(5-methylfuran-2-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
SMILESCc1ccc(C(C)NC(=O)c2cc(N)cn2C(C)C)o1
InChIInChI=1S/C15H21N3O2/c1-9(2)18-8-12(16)7-13(18)15(19)17-11(4)14-6-5-10(3)20-14/h5-9,11H,16H2,1-4H3,(H,17,19)
InChIKeyGMLBJAXQUFVGRR-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.04
Rot. Bonds4

About 4-amino-N-[1-(5-methylfuran-2-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide

4-amino-N-[1-(5-methylfuran-2-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 61141048) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-amino-N-[1-(5-methylfuran-2-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[1-(5-methylfuran-2-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID61141048
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name4-amino-N-[1-(5-methylfuran-2-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
SMILESCc1ccc(C(C)NC(=O)c2cc(N)cn2C(C)C)o1
InChIInChI=1S/C15H21N3O2/c1-9(2)18-8-12(16)7-13(18)15(19)17-11(4)14-6-5-10(3)20-14/h5-9,11H,16H2,1-4H3,(H,17,19)
InChIKeyGMLBJAXQUFVGRR-UHFFFAOYSA-N
XLogP3.04
TPSA73.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-propan-2-yl-N-(1-pyridin-4-ylethyl)pyrrole-2-carboxamide
CID 43643647
3-amino-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 43703392
4-amino-1-propan-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrole-2-carboxamide
CID 106281034
5-amino-N-[1-(5-methylfuran-2-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 61138958
5-methyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 94177083
4-amino-N-(1-methoxypropan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43642719
4-amino-1-ethyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrazole-3-carboxamide
CID 65357917
4-amino-N-(2-fluoro-4-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43643166
4,5-dimethyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]thiophene-2-carboxamide
CID 51922993
3-amino-N-[1-(5-methylfuran-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 62806836
4-amino-N-(4-methoxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43642223
4-amino-N-(2-chloro-6-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 66254121

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(5-methylfuran-2-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-[1-(5-methylfuran-2-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide (CID 61141048) is 4-amino-N-[1-(5-methylfuran-2-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-[1-(5-methylfuran-2-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-[1-(5-methylfuran-2-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide is Cc1ccc(C(C)NC(=O)c2cc(N)cn2C(C)C)o1.
What is the InChIKey of 4-amino-N-[1-(5-methylfuran-2-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is GMLBJAXQUFVGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-9(2)18-8-12(16)7-13(18)15(19)17-11(4)14-6-5-10(3)20-14/h5-9,11H,16H2,1-4H3,(H,17,19).
What are the key properties of 4-amino-N-[1-(5-methylfuran-2-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide?
4-amino-N-[1-(5-methylfuran-2-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(5-methylfuran-2-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 61141048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).