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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Related Compounds

3,5-dichloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)benzamide
CID 60520123
2,4-dichloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)benzamide
CID 60520270
2-(3-bromophenoxy)-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 86978269
N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)-4-(trifluoromethyl)benzamide
CID 78799295
N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)-4-nitrobenzamide
CID 78799293
5-chloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
CID 134014764
2-bromo-N-(2-cyanoethyl)-3-methyl-N-(2-morpholin-4-ylethyl)butanamide
CID 60949087
1-(2-cyanoethyl)-1-(2-morpholin-4-ylethyl)-3-(3-nitrophenyl)urea
CID 71943631
N-(2-cyanoethyl)-2-(2,6-dichlorophenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 78799313
4-bromo-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-1H-pyrrole-2-carboxamide
CID 60955400
N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
CID 78799349
N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)-2-naphthalen-1-ylacetamide
CID 60520082

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).