4-amino-N,1-dimethyl-N-(oxan-4-yl)pyrrole-2-carboxamide

C12H19N3O2 — CID 43644107

IUPAC4-amino-N,1-dimethyl-N-(oxan-4-yl)pyrrole-2-carboxamide
SMILESCN(C(=O)c1cc(N)cn1C)C1CCOCC1
InChIInChI=1S/C12H19N3O2/c1-14-8-9(13)7-11(14)12(16)15(2)10-3-5-17-6-4-10/h7-8,10H,3-6,13H2,1-2H3
InChIKeyDXVDIFUQWCHBOW-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.86
Rot. Bonds2

About 4-amino-N,1-dimethyl-N-(oxan-4-yl)pyrrole-2-carboxamide

4-amino-N,1-dimethyl-N-(oxan-4-yl)pyrrole-2-carboxamide (PubChem CID 43644107) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-amino-N,1-dimethyl-N-(oxan-4-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N,1-dimethyl-N-(oxan-4-yl)pyrrole-2-carboxamide
PubChem CID43644107
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-amino-N,1-dimethyl-N-(oxan-4-yl)pyrrole-2-carboxamide
SMILESCN(C(=O)c1cc(N)cn1C)C1CCOCC1
InChIInChI=1S/C12H19N3O2/c1-14-8-9(13)7-11(14)12(16)15(2)10-3-5-17-6-4-10/h7-8,10H,3-6,13H2,1-2H3
InChIKeyDXVDIFUQWCHBOW-UHFFFAOYSA-N
XLogP0.86
TPSA60.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N,1-dimethyl-N-(oxan-4-yl)pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N,1-dimethyl-N-(oxan-4-yl)pyrrole-2-carboxamide (CID 43644107) is 4-amino-N,1-dimethyl-N-(oxan-4-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N,1-dimethyl-N-(oxan-4-yl)pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N,1-dimethyl-N-(oxan-4-yl)pyrrole-2-carboxamide is CN(C(=O)c1cc(N)cn1C)C1CCOCC1.
What is the InChIKey of 4-amino-N,1-dimethyl-N-(oxan-4-yl)pyrrole-2-carboxamide?
The InChIKey is DXVDIFUQWCHBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-14-8-9(13)7-11(14)12(16)15(2)10-3-5-17-6-4-10/h7-8,10H,3-6,13H2,1-2H3.
What are the key properties of 4-amino-N,1-dimethyl-N-(oxan-4-yl)pyrrole-2-carboxamide?
4-amino-N,1-dimethyl-N-(oxan-4-yl)pyrrole-2-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,1-dimethyl-N-(oxan-4-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 43644107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).