4-amino-N-cyclopentyl-N-methyl-1-propan-2-ylpyrrole-2-carboxamide

C14H23N3O — CID 43643422

IUPAC4-amino-N-cyclopentyl-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cc(N)cc1C(=O)N(C)C1CCCC1
InChIInChI=1S/C14H23N3O/c1-10(2)17-9-11(15)8-13(17)14(18)16(3)12-6-4-5-7-12/h8-10,12H,4-7,15H2,1-3H3
InChIKeyFKFLRYLMVNYMQC-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.67
Rot. Bonds3

About 4-amino-N-cyclopentyl-N-methyl-1-propan-2-ylpyrrole-2-carboxamide

4-amino-N-cyclopentyl-N-methyl-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 43643422) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-amino-N-cyclopentyl-N-methyl-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-cyclopentyl-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID43643422
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name4-amino-N-cyclopentyl-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cc(N)cc1C(=O)N(C)C1CCCC1
InChIInChI=1S/C14H23N3O/c1-10(2)17-9-11(15)8-13(17)14(18)16(3)12-6-4-5-7-12/h8-10,12H,4-7,15H2,1-3H3
InChIKeyFKFLRYLMVNYMQC-UHFFFAOYSA-N
XLogP2.67
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(2-hydroxycyclohexyl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
CID 102631148
4-amino-N-methyl-N-(2-methylcyclohexyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 61104999
4-bromo-N-cyclobutyl-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
CID 115661025
4-amino-N-cycloheptyl-1-ethyl-N-methylpyrrole-2-carboxamide
CID 43644117
cyclopentyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 61309615
4-amino-N-(2-cyclopentylethyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 54932690
2-cyclobutylethyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 114157735
4-amino-N-(2-hydroxyethyl)-N,1-di(propan-2-yl)pyrrole-2-carboxamide
CID 43643965
4-amino-N-(2-methylpropyl)-N,1-di(propan-2-yl)pyrrole-2-carboxamide
CID 61107299
4-amino-N-methyl-N-(2-methylbutyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43643482
(4-amino-1-propan-2-ylpyrrol-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 61114045
4-amino-N,1-di(propan-2-yl)-N-propylpyrrole-2-carboxamide
CID 43643434

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclopentyl-N-methyl-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-cyclopentyl-N-methyl-1-propan-2-ylpyrrole-2-carboxamide (CID 43643422) is 4-amino-N-cyclopentyl-N-methyl-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-cyclopentyl-N-methyl-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-cyclopentyl-N-methyl-1-propan-2-ylpyrrole-2-carboxamide is CC(C)n1cc(N)cc1C(=O)N(C)C1CCCC1.
What is the InChIKey of 4-amino-N-cyclopentyl-N-methyl-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is FKFLRYLMVNYMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-10(2)17-9-11(15)8-13(17)14(18)16(3)12-6-4-5-7-12/h8-10,12H,4-7,15H2,1-3H3.
What are the key properties of 4-amino-N-cyclopentyl-N-methyl-1-propan-2-ylpyrrole-2-carboxamide?
4-amino-N-cyclopentyl-N-methyl-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 249.36 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclopentyl-N-methyl-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 43643422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).