4-amino-N-cycloheptyl-1-ethyl-N-methylpyrrole-2-carboxamide

C15H25N3O — CID 43644117

IUPAC4-amino-N-cycloheptyl-1-ethyl-N-methylpyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)N(C)C1CCCCCC1
InChIInChI=1S/C15H25N3O/c1-3-18-11-12(16)10-14(18)15(19)17(2)13-8-6-4-5-7-9-13/h10-11,13H,3-9,16H2,1-2H3
InChIKeyJJUAYAVNVIVICN-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.88
Rot. Bonds3

About 4-amino-N-cycloheptyl-1-ethyl-N-methylpyrrole-2-carboxamide

4-amino-N-cycloheptyl-1-ethyl-N-methylpyrrole-2-carboxamide (PubChem CID 43644117) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-amino-N-cycloheptyl-1-ethyl-N-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-cycloheptyl-1-ethyl-N-methylpyrrole-2-carboxamide
PubChem CID43644117
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name4-amino-N-cycloheptyl-1-ethyl-N-methylpyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)N(C)C1CCCCCC1
InChIInChI=1S/C15H25N3O/c1-3-18-11-12(16)10-14(18)15(19)17(2)13-8-6-4-5-7-9-13/h10-11,13H,3-9,16H2,1-2H3
InChIKeyJJUAYAVNVIVICN-UHFFFAOYSA-N
XLogP2.88
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-ethyl-N-methyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide
CID 61118691
4-amino-1-ethyl-N-methyl-N-(2-methylcyclohexyl)pyrrole-2-carboxamide
CID 61104997
4-amino-N-(1,1-dioxothiolan-3-yl)-1-ethyl-N-methylpyrrole-2-carboxamide
CID 43648411
4-amino-N-butyl-N-cyclopropyl-1-ethylpyrrole-2-carboxamide
CID 61107485
4-amino-N-cyclopentyl-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
CID 43643422
4-amino-N-cyclopropyl-1-ethyl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 55006736
ethyl 2-[(4-amino-1-ethylpyrrole-2-carbonyl)-cyclopropylamino]acetate
CID 61114978
4-amino-1-ethyl-N-methyl-N-propylpyrrole-2-carboxamide
CID 43643448
4-amino-1-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrrole-2-carboxamide
CID 79303494
4-amino-1-ethyl-N-methyl-N-[(2-methylcyclopropyl)methyl]pyrrole-2-carboxamide
CID 63878701
4-amino-1-ethyl-N-methyl-N-(oxan-3-ylmethyl)pyrrole-2-carboxamide
CID 63725531
N-cyclopentyl-N-methyl-1-propyl-4-sulfamoylpyrrole-2-carboxamide
CID 114612108

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cycloheptyl-1-ethyl-N-methylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-cycloheptyl-1-ethyl-N-methylpyrrole-2-carboxamide (CID 43644117) is 4-amino-N-cycloheptyl-1-ethyl-N-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-cycloheptyl-1-ethyl-N-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-cycloheptyl-1-ethyl-N-methylpyrrole-2-carboxamide is CCn1cc(N)cc1C(=O)N(C)C1CCCCCC1.
What is the InChIKey of 4-amino-N-cycloheptyl-1-ethyl-N-methylpyrrole-2-carboxamide?
The InChIKey is JJUAYAVNVIVICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-3-18-11-12(16)10-14(18)15(19)17(2)13-8-6-4-5-7-9-13/h10-11,13H,3-9,16H2,1-2H3.
What are the key properties of 4-amino-N-cycloheptyl-1-ethyl-N-methylpyrrole-2-carboxamide?
4-amino-N-cycloheptyl-1-ethyl-N-methylpyrrole-2-carboxamide has a molecular weight of 263.38 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cycloheptyl-1-ethyl-N-methylpyrrole-2-carboxamide is sourced from PubChem (CID 43644117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).