4-amino-N-(3,4-dimethylcyclohexyl)-1-propan-2-ylpyrrole-2-carboxamide

C16H27N3O — CID 64738703

IUPAC4-amino-N-(3,4-dimethylcyclohexyl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC1CCC(NC(=O)c2cc(N)cn2C(C)C)CC1C
InChIInChI=1S/C16H27N3O/c1-10(2)19-9-13(17)8-15(19)16(20)18-14-6-5-11(3)12(4)7-14/h8-12,14H,5-7,17H2,1-4H3,(H,18,20)
InChIKeyGMAOQZKSXDLGPC-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.21
Rot. Bonds3

About 4-amino-N-(3,4-dimethylcyclohexyl)-1-propan-2-ylpyrrole-2-carboxamide

4-amino-N-(3,4-dimethylcyclohexyl)-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 64738703) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 4-amino-N-(3,4-dimethylcyclohexyl)-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3,4-dimethylcyclohexyl)-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID64738703
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name4-amino-N-(3,4-dimethylcyclohexyl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC1CCC(NC(=O)c2cc(N)cn2C(C)C)CC1C
InChIInChI=1S/C16H27N3O/c1-10(2)19-9-13(17)8-15(19)16(20)18-14-6-5-11(3)12(4)7-14/h8-12,14H,5-7,17H2,1-4H3,(H,18,20)
InChIKeyGMAOQZKSXDLGPC-UHFFFAOYSA-N
XLogP3.21
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3,4-dimethylcyclohexyl)-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(3,4-dimethylcyclohexyl)-1-propan-2-ylpyrrole-2-carboxamide (CID 64738703) is 4-amino-N-(3,4-dimethylcyclohexyl)-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(3,4-dimethylcyclohexyl)-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(3,4-dimethylcyclohexyl)-1-propan-2-ylpyrrole-2-carboxamide is CC1CCC(NC(=O)c2cc(N)cn2C(C)C)CC1C.
What is the InChIKey of 4-amino-N-(3,4-dimethylcyclohexyl)-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is GMAOQZKSXDLGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-10(2)19-9-13(17)8-15(19)16(20)18-14-6-5-11(3)12(4)7-14/h8-12,14H,5-7,17H2,1-4H3,(H,18,20).
What are the key properties of 4-amino-N-(3,4-dimethylcyclohexyl)-1-propan-2-ylpyrrole-2-carboxamide?
4-amino-N-(3,4-dimethylcyclohexyl)-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 277.41 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3,4-dimethylcyclohexyl)-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 64738703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).