4-amino-N-(3,5-dimethylcyclohexyl)-1-ethylpyrrole-2-carboxamide

C15H25N3O — CID 64733612

IUPAC4-amino-N-(3,5-dimethylcyclohexyl)-1-ethylpyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)NC1CC(C)CC(C)C1
InChIInChI=1S/C15H25N3O/c1-4-18-9-12(16)8-14(18)15(19)17-13-6-10(2)5-11(3)7-13/h8-11,13H,4-7,16H2,1-3H3,(H,17,19)
InChIKeyDJBWHXJASNOONC-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.64
Rot. Bonds3

About 4-amino-N-(3,5-dimethylcyclohexyl)-1-ethylpyrrole-2-carboxamide

4-amino-N-(3,5-dimethylcyclohexyl)-1-ethylpyrrole-2-carboxamide (PubChem CID 64733612) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-amino-N-(3,5-dimethylcyclohexyl)-1-ethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3,5-dimethylcyclohexyl)-1-ethylpyrrole-2-carboxamide
PubChem CID64733612
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name4-amino-N-(3,5-dimethylcyclohexyl)-1-ethylpyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)NC1CC(C)CC(C)C1
InChIInChI=1S/C15H25N3O/c1-4-18-9-12(16)8-14(18)15(19)17-13-6-10(2)5-11(3)7-13/h8-11,13H,4-7,16H2,1-3H3,(H,17,19)
InChIKeyDJBWHXJASNOONC-UHFFFAOYSA-N
XLogP2.64
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-ethyl-N-(1-ethylpiperidin-4-yl)pyrrole-2-carboxamide
CID 61139100
4-amino-N-(1,1-dioxothian-4-yl)-1-ethylpyrrole-2-carboxamide
CID 43644123
4-amino-N-(3,5-dimethylcyclohexyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 64733030
4-amino-N-(1,1-dioxothian-3-yl)-1-ethylpyrrole-2-carboxamide
CID 63924660
4-amino-N-(4-hydroxycyclohexyl)-1-propylpyrrole-2-carboxamide
CID 43642114
4-amino-1-ethyl-N-(2-methylsulfanylcyclopentyl)pyrrole-2-carboxamide
CID 114121209
4-amino-1-ethyl-N-(2-methylprop-2-enyl)pyrrole-2-carboxamide
CID 114614959
4-amino-N-(1-cyclopropylethyl)-1-ethylpyrrole-2-carboxamide
CID 43643685
4-bromo-1-ethyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide
CID 43640965
4-amino-1-ethyl-N-(3,3,3-trifluoropropyl)pyrrole-2-carboxamide
CID 63228692
4-amino-1-ethyl-N-[(2S)-1-hydroxypropan-2-yl]pyrrole-2-carboxamide
CID 93254381
4-amino-1-ethyl-N-(2-methylbutan-2-yl)pyrrole-2-carboxamide
CID 43641881

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3,5-dimethylcyclohexyl)-1-ethylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(3,5-dimethylcyclohexyl)-1-ethylpyrrole-2-carboxamide (CID 64733612) is 4-amino-N-(3,5-dimethylcyclohexyl)-1-ethylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(3,5-dimethylcyclohexyl)-1-ethylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(3,5-dimethylcyclohexyl)-1-ethylpyrrole-2-carboxamide is CCn1cc(N)cc1C(=O)NC1CC(C)CC(C)C1.
What is the InChIKey of 4-amino-N-(3,5-dimethylcyclohexyl)-1-ethylpyrrole-2-carboxamide?
The InChIKey is DJBWHXJASNOONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-4-18-9-12(16)8-14(18)15(19)17-13-6-10(2)5-11(3)7-13/h8-11,13H,4-7,16H2,1-3H3,(H,17,19).
What are the key properties of 4-amino-N-(3,5-dimethylcyclohexyl)-1-ethylpyrrole-2-carboxamide?
4-amino-N-(3,5-dimethylcyclohexyl)-1-ethylpyrrole-2-carboxamide has a molecular weight of 263.38 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3,5-dimethylcyclohexyl)-1-ethylpyrrole-2-carboxamide is sourced from PubChem (CID 64733612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).