4-bromo-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide

C14H19BrN4O2 — CID 60954321

IUPAC4-bromo-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide
SMILESN#CCCN(CCN1CCOCC1)C(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C14H19BrN4O2/c15-12-10-13(17-11-12)14(20)19(3-1-2-16)5-4-18-6-8-21-9-7-18/h10-11,17H,1,3-9H2
InChIKeyXEKMECCTGJYXQE-UHFFFAOYSA-N
MW355.24 g/mol
LogP1.47
Rot. Bonds6

About 4-bromo-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide

4-bromo-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide (PubChem CID 60954321) has the molecular formula C14H19BrN4O2 and a molecular weight of 355.24 g/mol. Its IUPAC name is 4-bromo-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide
PubChem CID60954321
Molecular FormulaC14H19BrN4O2
Molecular Weight355.24 g/mol
Exact Mass354.07
IUPAC Name4-bromo-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide
SMILESN#CCCN(CCN1CCOCC1)C(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C14H19BrN4O2/c15-12-10-13(17-11-12)14(20)19(3-1-2-16)5-4-18-6-8-21-9-7-18/h10-11,17H,1,3-9H2
InChIKeyXEKMECCTGJYXQE-UHFFFAOYSA-N
XLogP1.47
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.24
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide (CID 60954321) is 4-bromo-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide is N#CCCN(CCN1CCOCC1)C(=O)c1cc(Br)c[nH]1.
What is the InChIKey of 4-bromo-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide?
The InChIKey is XEKMECCTGJYXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN4O2/c15-12-10-13(17-11-12)14(20)19(3-1-2-16)5-4-18-6-8-21-9-7-18/h10-11,17H,1,3-9H2.
What are the key properties of 4-bromo-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide?
4-bromo-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide has a molecular weight of 355.24 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 60954321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).