4-[(2,5-dimethylphenyl)methyl]-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide

C23H29N3O2 — CID 42791148

IUPAC4-[(2,5-dimethylphenyl)methyl]-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide
SMILESCc1ccc(C)c(Cn2c(C(=O)NCCN3CCCCC3)cc3occc32)c1
InChIInChI=1S/C23H29N3O2/c1-17-6-7-18(2)19(14-17)16-26-20-8-13-28-22(20)15-21(26)23(27)24-9-12-25-10-4-3-5-11-25/h6-8,13-15H,3-5,9-12,16H2,1-2H3,(H,24,27)
InChIKeyYAWQGHICEJTBKR-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.12
Rot. Bonds6

About 4-[(2,5-dimethylphenyl)methyl]-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide

4-[(2,5-dimethylphenyl)methyl]-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide (PubChem CID 42791148) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 4-[(2,5-dimethylphenyl)methyl]-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name4-[(2,5-dimethylphenyl)methyl]-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide
PubChem CID42791148
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name4-[(2,5-dimethylphenyl)methyl]-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide
SMILESCc1ccc(C)c(Cn2c(C(=O)NCCN3CCCCC3)cc3occc32)c1
InChIInChI=1S/C23H29N3O2/c1-17-6-7-18(2)19(14-17)16-26-20-8-13-28-22(20)15-21(26)23(27)24-9-12-25-10-4-3-5-11-25/h6-8,13-15H,3-5,9-12,16H2,1-2H3,(H,24,27)
InChIKeyYAWQGHICEJTBKR-UHFFFAOYSA-N
XLogP4.12
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(2,5-dimethylphenyl)methyl]-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide with MolForge

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Related Compounds

4-[(2-chlorophenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 42791069
[4-[(2,5-dimethylphenyl)methyl]furo[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
CID 42791146
4-[(2,5-dimethylphenyl)methyl]-N-(2-phenylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 7201900
4-[(3-chlorophenyl)methyl]-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 3966910
2-methyl-4-[(2-methylphenyl)methyl]-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 42791446
4-[(4-bromophenyl)methyl]-2-methyl-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 3577230
4-benzyl-N-(3-morpholin-4-ylpropyl)furo[3,2-b]pyrrole-5-carboxamide
CID 45494460
4-[(3,4-difluorophenyl)methyl]-2-methyl-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 42791492
N-butan-2-yl-4-[(2-methylphenyl)methyl]furo[3,2-b]pyrrole-5-carboxamide
CID 75768838
6-[(2-methylphenyl)methyl]-N-(2-morpholin-4-ylethyl)furo[2,3-b]pyrrole-5-carboxamide
CID 42797133
[4-[(4-methylphenyl)methyl]furo[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
CID 42790712
N-[2-(azepan-1-yl)ethyl]-2-bromo-5-methylbenzamide
CID 80979640

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethylphenyl)methyl]-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 4-[(2,5-dimethylphenyl)methyl]-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide (CID 42791148) is 4-[(2,5-dimethylphenyl)methyl]-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 4-[(2,5-dimethylphenyl)methyl]-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 4-[(2,5-dimethylphenyl)methyl]-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide is Cc1ccc(C)c(Cn2c(C(=O)NCCN3CCCCC3)cc3occc32)c1.
What is the InChIKey of 4-[(2,5-dimethylphenyl)methyl]-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide?
The InChIKey is YAWQGHICEJTBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-17-6-7-18(2)19(14-17)16-26-20-8-13-28-22(20)15-21(26)23(27)24-9-12-25-10-4-3-5-11-25/h6-8,13-15H,3-5,9-12,16H2,1-2H3,(H,24,27).
What are the key properties of 4-[(2,5-dimethylphenyl)methyl]-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide?
4-[(2,5-dimethylphenyl)methyl]-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide has a molecular weight of 379.50 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dimethylphenyl)methyl]-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 42791148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).