4-bromo-1-cyclopropyl-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyrrole-2-carboxamide

C14H20BrN3O2 — CID 106915735

IUPAC4-bromo-1-cyclopropyl-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyrrole-2-carboxamide
SMILESCNC(=O)C(C)CN(C)C(=O)c1cc(Br)cn1C1CC1
InChIInChI=1S/C14H20BrN3O2/c1-9(13(19)16-2)7-17(3)14(20)12-6-10(15)8-18(12)11-4-5-11/h6,8-9,11H,4-5,7H2,1-3H3,(H,16,19)
InChIKeyMEMKOMMVPOMZGC-UHFFFAOYSA-N
MW342.24 g/mol
LogP2.04
Rot. Bonds5

About 4-bromo-1-cyclopropyl-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyrrole-2-carboxamide

4-bromo-1-cyclopropyl-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyrrole-2-carboxamide (PubChem CID 106915735) has the molecular formula C14H20BrN3O2 and a molecular weight of 342.24 g/mol. Its IUPAC name is 4-bromo-1-cyclopropyl-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-cyclopropyl-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyrrole-2-carboxamide
PubChem CID106915735
Molecular FormulaC14H20BrN3O2
Molecular Weight342.24 g/mol
Exact Mass341.07
IUPAC Name4-bromo-1-cyclopropyl-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyrrole-2-carboxamide
SMILESCNC(=O)C(C)CN(C)C(=O)c1cc(Br)cn1C1CC1
InChIInChI=1S/C14H20BrN3O2/c1-9(13(19)16-2)7-17(3)14(20)12-6-10(15)8-18(12)11-4-5-11/h6,8-9,11H,4-5,7H2,1-3H3,(H,16,19)
InChIKeyMEMKOMMVPOMZGC-UHFFFAOYSA-N
XLogP2.04
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-1-ethyl-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyrrole-2-carboxamide
CID 113248361
4-bromo-1-cyclopropyl-N-methyl-N-propylpyrrole-2-carboxamide
CID 43641522
4-bromo-1-cyclopropyl-N-[2-(ethylamino)-2-oxoethyl]-N-methylpyrrole-2-carboxamide
CID 60954319
N-(3-aminopropyl)-4-bromo-1-cyclopropyl-N-methylpyrrole-2-carboxamide
CID 115318950
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CID 114949558
4-bromo-1-cyclopropyl-N-ethyl-N-[2-(methylamino)-2-oxoethyl]pyrrole-2-carboxamide
CID 54877638
4-bromo-N-(2-cyanopropyl)-1-cyclopropyl-N-ethylpyrrole-2-carboxamide
CID 54878068
4-bromo-1-cyclopropyl-N-[(4-fluorophenyl)methyl]-N-methylpyrrole-2-carboxamide
CID 60960256
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CID 55012077
4-bromo-1-cyclopropyl-N-[2-(dimethylamino)-2-methylpropyl]pyrrole-2-carboxamide
CID 61249209
4-bromo-1-cyclopropyl-N-ethyl-N-(2-ethylbutyl)pyrrole-2-carboxamide
CID 60955282
4-bromo-1-cyclopropyl-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]pyrrole-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-cyclopropyl-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-cyclopropyl-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyrrole-2-carboxamide (CID 106915735) is 4-bromo-1-cyclopropyl-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-cyclopropyl-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-cyclopropyl-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyrrole-2-carboxamide is CNC(=O)C(C)CN(C)C(=O)c1cc(Br)cn1C1CC1.
What is the InChIKey of 4-bromo-1-cyclopropyl-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyrrole-2-carboxamide?
The InChIKey is MEMKOMMVPOMZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O2/c1-9(13(19)16-2)7-17(3)14(20)12-6-10(15)8-18(12)11-4-5-11/h6,8-9,11H,4-5,7H2,1-3H3,(H,16,19).
What are the key properties of 4-bromo-1-cyclopropyl-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyrrole-2-carboxamide?
4-bromo-1-cyclopropyl-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyrrole-2-carboxamide has a molecular weight of 342.24 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-cyclopropyl-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyrrole-2-carboxamide is sourced from PubChem (CID 106915735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).