4-bromo-N-methyl-N-(oxan-4-yl)-1-propylpyrrole-2-carboxamide

C14H21BrN2O2 — CID 43641814

IUPAC4-bromo-N-methyl-N-(oxan-4-yl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Br)cc1C(=O)N(C)C1CCOCC1
InChIInChI=1S/C14H21BrN2O2/c1-3-6-17-10-11(15)9-13(17)14(18)16(2)12-4-7-19-8-5-12/h9-10,12H,3-8H2,1-2H3
InChIKeyJDCRWMYYIWDGQR-UHFFFAOYSA-N
MW329.24 g/mol
LogP2.91
Rot. Bonds4

About 4-bromo-N-methyl-N-(oxan-4-yl)-1-propylpyrrole-2-carboxamide

4-bromo-N-methyl-N-(oxan-4-yl)-1-propylpyrrole-2-carboxamide (PubChem CID 43641814) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is 4-bromo-N-methyl-N-(oxan-4-yl)-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-methyl-N-(oxan-4-yl)-1-propylpyrrole-2-carboxamide
PubChem CID43641814
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC Name4-bromo-N-methyl-N-(oxan-4-yl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Br)cc1C(=O)N(C)C1CCOCC1
InChIInChI=1S/C14H21BrN2O2/c1-3-6-17-10-11(15)9-13(17)14(18)16(2)12-4-7-19-8-5-12/h9-10,12H,3-8H2,1-2H3
InChIKeyJDCRWMYYIWDGQR-UHFFFAOYSA-N
XLogP2.91
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-methyl-N-(oxolan-3-yl)-1-propylpyrrole-2-carboxamide
CID 82737719
N-(azetidin-3-yl)-4-bromo-N-methyl-1-propylpyrrole-2-carboxamide
CID 66187541
4-bromo-N-(oxan-4-ylmethyl)-1-propylpyrrole-2-carboxamide
CID 55226070
4-bromo-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-1-propylpyrrole-2-carboxamide
CID 43639929
4-bromo-N,1-dimethyl-N-(1-propylpiperidin-4-yl)pyrrole-2-carboxamide
CID 61041943
4-bromo-1-ethyl-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrole-2-carboxamide
CID 60955722
4-bromo-N-(oxolan-3-ylmethyl)-1-propylpyrrole-2-carboxamide
CID 54932144
4-amino-N,1-dimethyl-N-(oxan-4-yl)pyrrole-2-carboxamide
CID 43644107
N-cyclopentyl-N-methyl-1-propyl-4-sulfamoylpyrrole-2-carboxamide
CID 114612108
4-bromo-N,N-dibutyl-1-propylpyrrole-2-carboxamide
CID 43641393
4-bromo-N,N-bis(2-hydroxyethyl)-1-propylpyrrole-2-carboxamide
CID 60955764
4-bromo-N-(cyclopropylmethyl)-1-propylpyrrole-2-carboxamide
CID 43640684

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-methyl-N-(oxan-4-yl)-1-propylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-methyl-N-(oxan-4-yl)-1-propylpyrrole-2-carboxamide (CID 43641814) is 4-bromo-N-methyl-N-(oxan-4-yl)-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-methyl-N-(oxan-4-yl)-1-propylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-methyl-N-(oxan-4-yl)-1-propylpyrrole-2-carboxamide is CCCn1cc(Br)cc1C(=O)N(C)C1CCOCC1.
What is the InChIKey of 4-bromo-N-methyl-N-(oxan-4-yl)-1-propylpyrrole-2-carboxamide?
The InChIKey is JDCRWMYYIWDGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-3-6-17-10-11(15)9-13(17)14(18)16(2)12-4-7-19-8-5-12/h9-10,12H,3-8H2,1-2H3.
What are the key properties of 4-bromo-N-methyl-N-(oxan-4-yl)-1-propylpyrrole-2-carboxamide?
4-bromo-N-methyl-N-(oxan-4-yl)-1-propylpyrrole-2-carboxamide has a molecular weight of 329.24 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-methyl-N-(oxan-4-yl)-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 43641814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).