2-bromo-4-methyl-N-(1-prop-2-enylpiperidin-4-yl)furo[3,2-b]pyrrole-5-carboxamide

C16H20BrN3O2 — CID 91958726

IUPAC2-bromo-4-methyl-N-(1-prop-2-enylpiperidin-4-yl)furo[3,2-b]pyrrole-5-carboxamide
SMILESC=CCN1CCC(NC(=O)c2cc3oc(Br)cc3n2C)CC1
InChIInChI=1S/C16H20BrN3O2/c1-3-6-20-7-4-11(5-8-20)18-16(21)13-9-14-12(19(13)2)10-15(17)22-14/h3,9-11H,1,4-8H2,2H3,(H,18,21)
InChIKeyPWTCPUXRDFCKTG-UHFFFAOYSA-N
MW366.26 g/mol
LogP2.91
Rot. Bonds4

About 2-bromo-4-methyl-N-(1-prop-2-enylpiperidin-4-yl)furo[3,2-b]pyrrole-5-carboxamide

2-bromo-4-methyl-N-(1-prop-2-enylpiperidin-4-yl)furo[3,2-b]pyrrole-5-carboxamide (PubChem CID 91958726) has the molecular formula C16H20BrN3O2 and a molecular weight of 366.26 g/mol. Its IUPAC name is 2-bromo-4-methyl-N-(1-prop-2-enylpiperidin-4-yl)furo[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name2-bromo-4-methyl-N-(1-prop-2-enylpiperidin-4-yl)furo[3,2-b]pyrrole-5-carboxamide
PubChem CID91958726
Molecular FormulaC16H20BrN3O2
Molecular Weight366.26 g/mol
Exact Mass365.07
IUPAC Name2-bromo-4-methyl-N-(1-prop-2-enylpiperidin-4-yl)furo[3,2-b]pyrrole-5-carboxamide
SMILESC=CCN1CCC(NC(=O)c2cc3oc(Br)cc3n2C)CC1
InChIInChI=1S/C16H20BrN3O2/c1-3-6-20-7-4-11(5-8-20)18-16(21)13-9-14-12(19(13)2)10-15(17)22-14/h3,9-11H,1,4-8H2,2H3,(H,18,21)
InChIKeyPWTCPUXRDFCKTG-UHFFFAOYSA-N
XLogP2.91
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.26
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-bromo-4-methyl-N-(1-prop-2-enylpiperidin-4-yl)furo[3,2-b]pyrrole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dimethyl-N-(1-prop-2-enylpiperidin-4-yl)benzamide
CID 75538560
2-amino-N-(1-prop-2-enylpiperidin-4-yl)benzamide;dihydrochloride
CID 119947092
6-[(1-prop-2-enylpiperidin-4-yl)carbamoyl]naphthalene-2-carboxylic acid
CID 167783469
4-phenyl-N-(1-prop-2-enylpiperidin-4-yl)benzamide
CID 75538554
3-fluoro-N-(1-prop-2-enylpiperidin-4-yl)benzamide
CID 91938316
3-amino-N-(1-prop-2-enylpiperidin-4-yl)benzamide
CID 119879126
(2S)-2-amino-N-(1-prop-2-enylpiperidin-4-yl)butanamide
CID 119879124
2-bromo-4-(2-methoxyethoxy)-N-(1-methylpiperidin-4-yl)-1-benzofuran-6-carboxamide
CID 91958157
1-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]indole-2-carboxamide
CID 55911141
(4-benzylpiperazin-1-yl)-(2-bromo-4-methylfuro[3,2-b]pyrrol-5-yl)methanone
CID 91958676
4-bromo-N-(1-butylpiperidin-4-yl)-1-methylpyrrole-2-carboxamide
CID 60956390
3,5-dibromo-N-(1-ethylpiperidin-4-yl)benzamide
CID 103907480

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-methyl-N-(1-prop-2-enylpiperidin-4-yl)furo[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 2-bromo-4-methyl-N-(1-prop-2-enylpiperidin-4-yl)furo[3,2-b]pyrrole-5-carboxamide (CID 91958726) is 2-bromo-4-methyl-N-(1-prop-2-enylpiperidin-4-yl)furo[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 2-bromo-4-methyl-N-(1-prop-2-enylpiperidin-4-yl)furo[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 2-bromo-4-methyl-N-(1-prop-2-enylpiperidin-4-yl)furo[3,2-b]pyrrole-5-carboxamide is C=CCN1CCC(NC(=O)c2cc3oc(Br)cc3n2C)CC1.
What is the InChIKey of 2-bromo-4-methyl-N-(1-prop-2-enylpiperidin-4-yl)furo[3,2-b]pyrrole-5-carboxamide?
The InChIKey is PWTCPUXRDFCKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O2/c1-3-6-20-7-4-11(5-8-20)18-16(21)13-9-14-12(19(13)2)10-15(17)22-14/h3,9-11H,1,4-8H2,2H3,(H,18,21).
What are the key properties of 2-bromo-4-methyl-N-(1-prop-2-enylpiperidin-4-yl)furo[3,2-b]pyrrole-5-carboxamide?
2-bromo-4-methyl-N-(1-prop-2-enylpiperidin-4-yl)furo[3,2-b]pyrrole-5-carboxamide has a molecular weight of 366.26 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-methyl-N-(1-prop-2-enylpiperidin-4-yl)furo[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 91958726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).