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

C14H22BrN3O — CID 63274162

IUPAC4-bromo-1-ethyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)N(C)CC1CCN(C)C1
InChIInChI=1S/C14H22BrN3O/c1-4-18-10-12(15)7-13(18)14(19)17(3)9-11-5-6-16(2)8-11/h7,10-11H,4-6,8-9H2,1-3H3
InChIKeyBPEYWLLMGSQFLL-UHFFFAOYSA-N
MW328.25 g/mol
LogP2.29
Rot. Bonds4

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

4-bromo-1-ethyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrrole-2-carboxamide (PubChem CID 63274162) has the molecular formula C14H22BrN3O and a molecular weight of 328.25 g/mol. Its IUPAC name is 4-bromo-1-ethyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-ethyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrrole-2-carboxamide
PubChem CID63274162
Molecular FormulaC14H22BrN3O
Molecular Weight328.25 g/mol
Exact Mass327.09
IUPAC Name4-bromo-1-ethyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)N(C)CC1CCN(C)C1
InChIInChI=1S/C14H22BrN3O/c1-4-18-10-12(15)7-13(18)14(19)17(3)9-11-5-6-16(2)8-11/h7,10-11H,4-6,8-9H2,1-3H3
InChIKeyBPEYWLLMGSQFLL-UHFFFAOYSA-N
XLogP2.29
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-pyrrole-2-carboxamide
CID 63274163
4-bromo-1-ethyl-N-(1-methylpiperidin-3-yl)pyrrole-2-carboxamide
CID 61212021
4,5-dibromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide
CID 78942000
4-bromo-1-ethyl-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrole-2-carboxamide
CID 60955722
4-bromo-1-ethyl-N-methyl-N-(3,3,3-trifluoropropyl)pyrrole-2-carboxamide
CID 62728053
4-bromo-N,N,1-triethylpyrrole-2-carboxamide
CID 43640587
(4-bromo-1-ethylpyrrol-2-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 43641435
5-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]furan-2-carboxamide
CID 55172976
4-bromo-3-chloro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 81005125
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63373062
(4-aminopiperidin-1-yl)-(4-bromo-1-ethylpyrrol-2-yl)methanone
CID 43639622
4-bromo-1-ethyl-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrole-2-carboxamide
CID 54878062

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-ethyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-ethyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrrole-2-carboxamide (CID 63274162) is 4-bromo-1-ethyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-ethyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-ethyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrrole-2-carboxamide is CCn1cc(Br)cc1C(=O)N(C)CC1CCN(C)C1.
What is the InChIKey of 4-bromo-1-ethyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrrole-2-carboxamide?
The InChIKey is BPEYWLLMGSQFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O/c1-4-18-10-12(15)7-13(18)14(19)17(3)9-11-5-6-16(2)8-11/h7,10-11H,4-6,8-9H2,1-3H3.
What are the key properties of 4-bromo-1-ethyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrrole-2-carboxamide?
4-bromo-1-ethyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrrole-2-carboxamide has a molecular weight of 328.25 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-ethyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 63274162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).