4-cyano-1-cyclopentyl-5-methoxy-N,N-dimethylpyrrole-2-carboxamide

C14H19N3O2 — CID 134398471

IUPAC4-cyano-1-cyclopentyl-5-methoxy-N,N-dimethylpyrrole-2-carboxamide
SMILESCOc1c(C#N)cc(C(=O)N(C)C)n1C1CCCC1
InChIInChI=1S/C14H19N3O2/c1-16(2)13(18)12-8-10(9-15)14(19-3)17(12)11-6-4-5-7-11/h8,11H,4-7H2,1-3H3
InChIKeyDAJPGURVFCYTQE-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.19
Rot. Bonds3

About 4-cyano-1-cyclopentyl-5-methoxy-N,N-dimethylpyrrole-2-carboxamide

4-cyano-1-cyclopentyl-5-methoxy-N,N-dimethylpyrrole-2-carboxamide (PubChem CID 134398471) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-cyano-1-cyclopentyl-5-methoxy-N,N-dimethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-cyano-1-cyclopentyl-5-methoxy-N,N-dimethylpyrrole-2-carboxamide
PubChem CID134398471
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name4-cyano-1-cyclopentyl-5-methoxy-N,N-dimethylpyrrole-2-carboxamide
SMILESCOc1c(C#N)cc(C(=O)N(C)C)n1C1CCCC1
InChIInChI=1S/C14H19N3O2/c1-16(2)13(18)12-8-10(9-15)14(19-3)17(12)11-6-4-5-7-11/h8,11H,4-7H2,1-3H3
InChIKeyDAJPGURVFCYTQE-UHFFFAOYSA-N
XLogP2.19
TPSA58.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-1-cyclopentyl-5-methoxy-N,N-dimethylpyrrole-2-carboxamide?
The IUPAC name of 4-cyano-1-cyclopentyl-5-methoxy-N,N-dimethylpyrrole-2-carboxamide (CID 134398471) is 4-cyano-1-cyclopentyl-5-methoxy-N,N-dimethylpyrrole-2-carboxamide.
What is the SMILES notation for 4-cyano-1-cyclopentyl-5-methoxy-N,N-dimethylpyrrole-2-carboxamide?
The canonical SMILES for 4-cyano-1-cyclopentyl-5-methoxy-N,N-dimethylpyrrole-2-carboxamide is COc1c(C#N)cc(C(=O)N(C)C)n1C1CCCC1.
What is the InChIKey of 4-cyano-1-cyclopentyl-5-methoxy-N,N-dimethylpyrrole-2-carboxamide?
The InChIKey is DAJPGURVFCYTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-16(2)13(18)12-8-10(9-15)14(19-3)17(12)11-6-4-5-7-11/h8,11H,4-7H2,1-3H3.
What are the key properties of 4-cyano-1-cyclopentyl-5-methoxy-N,N-dimethylpyrrole-2-carboxamide?
4-cyano-1-cyclopentyl-5-methoxy-N,N-dimethylpyrrole-2-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-1-cyclopentyl-5-methoxy-N,N-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 134398471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).