4-amino-N,1-dicyclopropyl-N-(furan-2-ylmethyl)pyrrole-2-carboxamide

C16H19N3O2 — CID 61105549

IUPAC4-amino-N,1-dicyclopropyl-N-(furan-2-ylmethyl)pyrrole-2-carboxamide
SMILESNc1cc(C(=O)N(Cc2ccco2)C2CC2)n(C2CC2)c1
InChIInChI=1S/C16H19N3O2/c17-11-8-15(18(9-11)12-3-4-12)16(20)19(13-5-6-13)10-14-2-1-7-21-14/h1-2,7-9,12-13H,3-6,10,17H2
InChIKeyWKTVPZJDLLKSBK-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.80
Rot. Bonds5

About 4-amino-N,1-dicyclopropyl-N-(furan-2-ylmethyl)pyrrole-2-carboxamide

4-amino-N,1-dicyclopropyl-N-(furan-2-ylmethyl)pyrrole-2-carboxamide (PubChem CID 61105549) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 4-amino-N,1-dicyclopropyl-N-(furan-2-ylmethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N,1-dicyclopropyl-N-(furan-2-ylmethyl)pyrrole-2-carboxamide
PubChem CID61105549
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name4-amino-N,1-dicyclopropyl-N-(furan-2-ylmethyl)pyrrole-2-carboxamide
SMILESNc1cc(C(=O)N(Cc2ccco2)C2CC2)n(C2CC2)c1
InChIInChI=1S/C16H19N3O2/c17-11-8-15(18(9-11)12-3-4-12)16(20)19(13-5-6-13)10-14-2-1-7-21-14/h1-2,7-9,12-13H,3-6,10,17H2
InChIKeyWKTVPZJDLLKSBK-UHFFFAOYSA-N
XLogP2.80
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3,5-dichloro-N-cyclopropyl-N-(furan-2-ylmethyl)benzamide
CID 82811231
4-amino-N-cyclopropyl-N-(furan-2-ylmethyl)-3-hydroxybenzamide
CID 107074444
2-amino-N-cyclopropyl-N-(furan-2-ylmethyl)-5-hydroxybenzamide
CID 107074445
N-cyclopropyl-N-(furan-2-ylmethyl)benzamide
CID 47022966
ethyl 2-[(4-amino-1-cyclopropylpyrrole-2-carbonyl)-cyclopropylamino]acetate
CID 61115168
5-amino-N-cyclopropyl-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 81317098
N-cyclopropyl-5-fluoro-N-(furan-2-ylmethyl)-2-hydroxybenzamide
CID 115299012
3-amino-N-cyclopropyl-N-(furan-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide
CID 62793672
2-(5-amino-2-oxo-1-pyridinyl)-N-cyclopropyl-N-(furan-2-ylmethyl)acetamide
CID 62815479
N-cyclopropyl-N-(furan-2-ylmethyl)-4-iodobenzamide
CID 60731680
N-cyclopropyl-N-(furan-2-ylmethyl)-3-methylbenzamide
CID 47022969
3-[cyclopropyl(furan-2-ylmethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369452

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,1-dicyclopropyl-N-(furan-2-ylmethyl)pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N,1-dicyclopropyl-N-(furan-2-ylmethyl)pyrrole-2-carboxamide (CID 61105549) is 4-amino-N,1-dicyclopropyl-N-(furan-2-ylmethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N,1-dicyclopropyl-N-(furan-2-ylmethyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N,1-dicyclopropyl-N-(furan-2-ylmethyl)pyrrole-2-carboxamide is Nc1cc(C(=O)N(Cc2ccco2)C2CC2)n(C2CC2)c1.
What is the InChIKey of 4-amino-N,1-dicyclopropyl-N-(furan-2-ylmethyl)pyrrole-2-carboxamide?
The InChIKey is WKTVPZJDLLKSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c17-11-8-15(18(9-11)12-3-4-12)16(20)19(13-5-6-13)10-14-2-1-7-21-14/h1-2,7-9,12-13H,3-6,10,17H2.
What are the key properties of 4-amino-N,1-dicyclopropyl-N-(furan-2-ylmethyl)pyrrole-2-carboxamide?
4-amino-N,1-dicyclopropyl-N-(furan-2-ylmethyl)pyrrole-2-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,1-dicyclopropyl-N-(furan-2-ylmethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 61105549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).