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

C13H20BrN3O2 — CID 113248361

IUPAC4-bromo-1-ethyl-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)N(C)CC(C)C(=O)NC
InChIInChI=1S/C13H20BrN3O2/c1-5-17-8-10(14)6-11(17)13(19)16(4)7-9(2)12(18)15-3/h6,8-9H,5,7H2,1-4H3,(H,15,18)
InChIKeyNVWNQQNVVUTMSJ-UHFFFAOYSA-N
MW330.23 g/mol
LogP1.72
Rot. Bonds5

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

4-bromo-1-ethyl-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyrrole-2-carboxamide (PubChem CID 113248361) has the molecular formula C13H20BrN3O2 and a molecular weight of 330.23 g/mol. Its IUPAC name is 4-bromo-1-ethyl-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-ethyl-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyrrole-2-carboxamide
PubChem CID113248361
Molecular FormulaC13H20BrN3O2
Molecular Weight330.23 g/mol
Exact Mass329.07
IUPAC Name4-bromo-1-ethyl-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)N(C)CC(C)C(=O)NC
InChIInChI=1S/C13H20BrN3O2/c1-5-17-8-10(14)6-11(17)13(19)16(4)7-9(2)12(18)15-3/h6,8-9H,5,7H2,1-4H3,(H,15,18)
InChIKeyNVWNQQNVVUTMSJ-UHFFFAOYSA-N
XLogP1.72
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-1-cyclopropyl-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyrrole-2-carboxamide
CID 106915735
3-[(4-bromo-1-propylpyrrole-2-carbonyl)-methylamino]-2-methylpropanoic acid
CID 55008364
4-bromo-1-ethyl-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrole-2-carboxamide
CID 54878062
4-bromo-1-ethyl-N-methylpyrrole-2-carboxamide
CID 43640635
4-bromo-1-ethyl-N-methyl-N-(3,3,3-trifluoropropyl)pyrrole-2-carboxamide
CID 62728053
4-bromo-2,6-difluoro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
CID 103747220
(2S)-3-(4-bromo-1-ethylpyrrol-2-yl)-2-cyano-N-methyl-3-oxopropanamide
CID 98130561
4-bromo-N,N,1-triethylpyrrole-2-carboxamide
CID 43640587
4-bromo-1-ethyl-N-[(2R)-2-hydroxypropyl]pyrrole-2-carboxamide
CID 83031512
4-bromo-2-hydroxy-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
CID 103722401
4-bromo-N-methyl-N-[2-(methylamino)-2-oxoethyl]-1-propylpyrrole-2-carboxamide
CID 43641605
3,5-diamino-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
CID 106913842

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-ethyl-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-ethyl-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyrrole-2-carboxamide (CID 113248361) is 4-bromo-1-ethyl-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-ethyl-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-ethyl-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyrrole-2-carboxamide is CCn1cc(Br)cc1C(=O)N(C)CC(C)C(=O)NC.
What is the InChIKey of 4-bromo-1-ethyl-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyrrole-2-carboxamide?
The InChIKey is NVWNQQNVVUTMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O2/c1-5-17-8-10(14)6-11(17)13(19)16(4)7-9(2)12(18)15-3/h6,8-9H,5,7H2,1-4H3,(H,15,18).
What are the key properties of 4-bromo-1-ethyl-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyrrole-2-carboxamide?
4-bromo-1-ethyl-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyrrole-2-carboxamide has a molecular weight of 330.23 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-ethyl-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyrrole-2-carboxamide is sourced from PubChem (CID 113248361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).