4-bromo-1-ethyl-N-(3-methylpyrrolidin-3-yl)pyrrole-2-carboxamide

C12H18BrN3O — CID 107422712

IUPAC4-bromo-1-ethyl-N-(3-methylpyrrolidin-3-yl)pyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)NC1(C)CCNC1
InChIInChI=1S/C12H18BrN3O/c1-3-16-7-9(13)6-10(16)11(17)15-12(2)4-5-14-8-12/h6-7,14H,3-5,8H2,1-2H3,(H,15,17)
InChIKeyCDNBXXFBQRPVNC-UHFFFAOYSA-N
MW300.20 g/mol
LogP1.75
Rot. Bonds3

About 4-bromo-1-ethyl-N-(3-methylpyrrolidin-3-yl)pyrrole-2-carboxamide

4-bromo-1-ethyl-N-(3-methylpyrrolidin-3-yl)pyrrole-2-carboxamide (PubChem CID 107422712) has the molecular formula C12H18BrN3O and a molecular weight of 300.20 g/mol. Its IUPAC name is 4-bromo-1-ethyl-N-(3-methylpyrrolidin-3-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-ethyl-N-(3-methylpyrrolidin-3-yl)pyrrole-2-carboxamide
PubChem CID107422712
Molecular FormulaC12H18BrN3O
Molecular Weight300.20 g/mol
Exact Mass299.06
IUPAC Name4-bromo-1-ethyl-N-(3-methylpyrrolidin-3-yl)pyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)NC1(C)CCNC1
InChIInChI=1S/C12H18BrN3O/c1-3-16-7-9(13)6-10(16)11(17)15-12(2)4-5-14-8-12/h6-7,14H,3-5,8H2,1-2H3,(H,15,17)
InChIKeyCDNBXXFBQRPVNC-UHFFFAOYSA-N
XLogP1.75
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-1-ethyl-N-[(1-methylcyclobutyl)methyl]pyrrole-2-carboxamide
CID 103737464
4-bromo-1-ethyl-N-methylpyrrole-2-carboxamide
CID 43640635
(4-bromo-1-ethylpyrrol-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 115304407
4-bromo-1-ethyl-N-(2,2,3,3-tetramethylcyclopropyl)pyrrole-2-carboxamide
CID 79350450
2-methyl-N-(3-methylpyrrolidin-3-yl)pyrazole-3-carboxamide
CID 107423053
4-bromo-1-ethyl-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]pyrrole-2-carboxamide
CID 103799996
4-chloro-N-(4-methylpiperidin-4-yl)-1-propylpyrrole-2-carboxamide
CID 114696329
4-bromo-1-ethyl-N-piperidin-3-ylpyrrole-2-carboxamide;hydrochloride
CID 119424531
1-benzyl-N-(3-methylpyrrolidin-3-yl)pyrrole-2-carboxamide
CID 107422969
4-bromo-1-methyl-N-(1-methylcyclopropyl)pyrrole-2-carboxamide
CID 115634355
4-bromo-1-methyl-N-(1-methylcyclohexyl)pyrrole-2-carboxamide
CID 61229345
3-ethyl-1-methyl-N-(3-methylpyrrolidin-3-yl)pyrazole-4-carboxamide
CID 107422800

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-ethyl-N-(3-methylpyrrolidin-3-yl)pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-ethyl-N-(3-methylpyrrolidin-3-yl)pyrrole-2-carboxamide (CID 107422712) is 4-bromo-1-ethyl-N-(3-methylpyrrolidin-3-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-ethyl-N-(3-methylpyrrolidin-3-yl)pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-ethyl-N-(3-methylpyrrolidin-3-yl)pyrrole-2-carboxamide is CCn1cc(Br)cc1C(=O)NC1(C)CCNC1.
What is the InChIKey of 4-bromo-1-ethyl-N-(3-methylpyrrolidin-3-yl)pyrrole-2-carboxamide?
The InChIKey is CDNBXXFBQRPVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O/c1-3-16-7-9(13)6-10(16)11(17)15-12(2)4-5-14-8-12/h6-7,14H,3-5,8H2,1-2H3,(H,15,17).
What are the key properties of 4-bromo-1-ethyl-N-(3-methylpyrrolidin-3-yl)pyrrole-2-carboxamide?
4-bromo-1-ethyl-N-(3-methylpyrrolidin-3-yl)pyrrole-2-carboxamide has a molecular weight of 300.20 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-ethyl-N-(3-methylpyrrolidin-3-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 107422712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).