4-amino-N-butyl-N-cyclopropyl-1-ethylpyrrole-2-carboxamide

C14H23N3O — CID 61107485

IUPAC4-amino-N-butyl-N-cyclopropyl-1-ethylpyrrole-2-carboxamide
SMILESCCCCN(C(=O)c1cc(N)cn1CC)C1CC1
InChIInChI=1S/C14H23N3O/c1-3-5-8-17(12-6-7-12)14(18)13-9-11(15)10-16(13)4-2/h9-10,12H,3-8,15H2,1-2H3
InChIKeyDAKNKSRPPFQWPN-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.49
Rot. Bonds6

About 4-amino-N-butyl-N-cyclopropyl-1-ethylpyrrole-2-carboxamide

4-amino-N-butyl-N-cyclopropyl-1-ethylpyrrole-2-carboxamide (PubChem CID 61107485) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-amino-N-butyl-N-cyclopropyl-1-ethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-butyl-N-cyclopropyl-1-ethylpyrrole-2-carboxamide
PubChem CID61107485
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name4-amino-N-butyl-N-cyclopropyl-1-ethylpyrrole-2-carboxamide
SMILESCCCCN(C(=O)c1cc(N)cn1CC)C1CC1
InChIInChI=1S/C14H23N3O/c1-3-5-8-17(12-6-7-12)14(18)13-9-11(15)10-16(13)4-2/h9-10,12H,3-8,15H2,1-2H3
InChIKeyDAKNKSRPPFQWPN-UHFFFAOYSA-N
XLogP2.49
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-cyclopropyl-1-ethyl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 55006736
4-amino-N-cyclopropyl-N,1-dipropylpyrrole-2-carboxamide
CID 43643445
4-amino-1-ethyl-N-methyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide
CID 61118691
ethyl 2-[(4-amino-1-ethylpyrrole-2-carbonyl)-cyclopropylamino]acetate
CID 61114978
4-amino-N-cycloheptyl-1-ethyl-N-methylpyrrole-2-carboxamide
CID 43644117
4-amino-N-butyl-1-ethyl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 61107524
4-amino-N-(2-cyanoethyl)-N-cyclopropyl-1-propylpyrrole-2-carboxamide
CID 61125746
4-amino-N-cyclopropyl-1-ethyl-N-(thiophen-3-ylmethyl)pyrrole-2-carboxamide
CID 61433686
4-amino-1-ethyl-N-methyl-N-propylpyrrole-2-carboxamide
CID 43643448
4-amino-N-butyl-1-ethyl-N-phenylpyrrole-2-carboxamide
CID 64586919
4-amino-1-ethyl-N-(2-methoxyethyl)-N-(thiolan-3-yl)pyrrole-2-carboxamide
CID 61106234
4-amino-1-ethyl-N-methyl-N-(2-methylcyclohexyl)pyrrole-2-carboxamide
CID 61104997

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-butyl-N-cyclopropyl-1-ethylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-butyl-N-cyclopropyl-1-ethylpyrrole-2-carboxamide (CID 61107485) is 4-amino-N-butyl-N-cyclopropyl-1-ethylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-butyl-N-cyclopropyl-1-ethylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-butyl-N-cyclopropyl-1-ethylpyrrole-2-carboxamide is CCCCN(C(=O)c1cc(N)cn1CC)C1CC1.
What is the InChIKey of 4-amino-N-butyl-N-cyclopropyl-1-ethylpyrrole-2-carboxamide?
The InChIKey is DAKNKSRPPFQWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-5-8-17(12-6-7-12)14(18)13-9-11(15)10-16(13)4-2/h9-10,12H,3-8,15H2,1-2H3.
What are the key properties of 4-amino-N-butyl-N-cyclopropyl-1-ethylpyrrole-2-carboxamide?
4-amino-N-butyl-N-cyclopropyl-1-ethylpyrrole-2-carboxamide has a molecular weight of 249.36 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-butyl-N-cyclopropyl-1-ethylpyrrole-2-carboxamide is sourced from PubChem (CID 61107485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).