4-bromo-1-cyclopropyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyrrole-2-carboxamide

C15H23BrN4O — CID 63896573

IUPAC4-bromo-1-cyclopropyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyrrole-2-carboxamide
SMILESCN1CCN(C)C(CNC(=O)c2cc(Br)cn2C2CC2)C1
InChIInChI=1S/C15H23BrN4O/c1-18-5-6-19(2)13(10-18)8-17-15(21)14-7-11(16)9-20(14)12-3-4-12/h7,9,12-13H,3-6,8,10H2,1-2H3,(H,17,21)
InChIKeyOMCGKVGUZUWHGP-UHFFFAOYSA-N
MW355.28 g/mol
LogP1.56
Rot. Bonds4

About 4-bromo-1-cyclopropyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyrrole-2-carboxamide

4-bromo-1-cyclopropyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyrrole-2-carboxamide (PubChem CID 63896573) has the molecular formula C15H23BrN4O and a molecular weight of 355.28 g/mol. Its IUPAC name is 4-bromo-1-cyclopropyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-cyclopropyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyrrole-2-carboxamide
PubChem CID63896573
Molecular FormulaC15H23BrN4O
Molecular Weight355.28 g/mol
Exact Mass354.11
IUPAC Name4-bromo-1-cyclopropyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyrrole-2-carboxamide
SMILESCN1CCN(C)C(CNC(=O)c2cc(Br)cn2C2CC2)C1
InChIInChI=1S/C15H23BrN4O/c1-18-5-6-19(2)13(10-18)8-17-15(21)14-7-11(16)9-20(14)12-3-4-12/h7,9,12-13H,3-6,8,10H2,1-2H3,(H,17,21)
InChIKeyOMCGKVGUZUWHGP-UHFFFAOYSA-N
XLogP1.56
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-1-cyclopropyl-N-(2-methoxyethyl)pyrrole-2-carboxamide
CID 43640614
4-bromo-1-cyclopropyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrrole-2-carboxamide
CID 79318654
4-bromo-1-cyclopropyl-N-(oxan-3-ylmethyl)pyrrole-2-carboxamide
CID 54905662
4-bromo-1-cyclopropyl-N-(3-methylsulfonylpropyl)pyrrole-2-carboxamide
CID 54905476
methyl 4-[(4-bromo-1-cyclopropylpyrrole-2-carbonyl)amino]butanoate
CID 61249864
4-bromo-1-cyclopropyl-N-(2,2-dimethoxyethyl)pyrrole-2-carboxamide
CID 61248178
4-bromo-1-cyclopropyl-N-[2-(propylamino)ethyl]pyrrole-2-carboxamide
CID 62659546
4-bromo-1-cyclopropyl-N-(2-ethylsulfonylethyl)pyrrole-2-carboxamide
CID 114111098
4-bromo-1-cyclopropyl-N-[2-(dimethylcarbamoylamino)ethyl]pyrrole-2-carboxamide
CID 83121332
4-bromo-1-cyclopropyl-N-(3-methoxypropyl)pyrrole-2-carboxamide
CID 43641446
(4-bromo-1-cyclopropylpyrrol-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 43640610
4-bromo-1-cyclopropyl-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrrole-2-carboxamide
CID 107390208

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-cyclopropyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-cyclopropyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyrrole-2-carboxamide (CID 63896573) is 4-bromo-1-cyclopropyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-cyclopropyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-cyclopropyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyrrole-2-carboxamide is CN1CCN(C)C(CNC(=O)c2cc(Br)cn2C2CC2)C1.
What is the InChIKey of 4-bromo-1-cyclopropyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyrrole-2-carboxamide?
The InChIKey is OMCGKVGUZUWHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN4O/c1-18-5-6-19(2)13(10-18)8-17-15(21)14-7-11(16)9-20(14)12-3-4-12/h7,9,12-13H,3-6,8,10H2,1-2H3,(H,17,21).
What are the key properties of 4-bromo-1-cyclopropyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyrrole-2-carboxamide?
4-bromo-1-cyclopropyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyrrole-2-carboxamide has a molecular weight of 355.28 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-cyclopropyl-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 63896573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).