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

C23H29N3O2 — CID 42791446

IUPAC2-methyl-4-[(2-methylphenyl)methyl]-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide
SMILESCc1cc2c(cc(C(=O)NCCN3CCCCC3)n2Cc2ccccc2C)o1
InChIInChI=1S/C23H29N3O2/c1-17-8-4-5-9-19(17)16-26-20-14-18(2)28-22(20)15-21(26)23(27)24-10-13-25-11-6-3-7-12-25/h4-5,8-9,14-15H,3,6-7,10-13,16H2,1-2H3,(H,24,27)
InChIKeyFOHBSETYUSEXAZ-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.12
Rot. Bonds6

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

2-methyl-4-[(2-methylphenyl)methyl]-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide (PubChem CID 42791446) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 2-methyl-4-[(2-methylphenyl)methyl]-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-4-[(2-methylphenyl)methyl]-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide
PubChem CID42791446
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name2-methyl-4-[(2-methylphenyl)methyl]-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide
SMILESCc1cc2c(cc(C(=O)NCCN3CCCCC3)n2Cc2ccccc2C)o1
InChIInChI=1S/C23H29N3O2/c1-17-8-4-5-9-19(17)16-26-20-14-18(2)28-22(20)15-21(26)23(27)24-10-13-25-11-6-3-7-12-25/h4-5,8-9,14-15H,3,6-7,10-13,16H2,1-2H3,(H,24,27)
InChIKeyFOHBSETYUSEXAZ-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

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Related Compounds

4-[(4-bromophenyl)methyl]-2-methyl-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 3577230
4-[(3,4-difluorophenyl)methyl]-2-methyl-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 42791492
4-[(2,5-dimethylphenyl)methyl]-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 42791148
4-[(2-chlorophenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 42791069
[4-[(2-fluorophenyl)methyl]-2-methylfuro[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
CID 42791194
6-[(2-methylphenyl)methyl]-N-(2-morpholin-4-ylethyl)furo[2,3-b]pyrrole-5-carboxamide
CID 42797133
4-[(4-chlorophenyl)methyl]-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-methylfuro[3,2-b]pyrrole-5-carboxamide
CID 20885172
1-[(2-methylphenyl)methyl]-N-(2-piperidin-1-ylethyl)triazole-4-carboxamide
CID 26395239
4-[(2-fluorophenyl)methyl]-2-methyl-N-(pyridin-2-ylmethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 42791219
[4-[(2-chlorophenyl)methyl]-2-methylfuro[3,2-b]pyrrol-5-yl]-(4-ethylpiperazin-1-yl)methanone
CID 42791656
4-[(3-chlorophenyl)methyl]-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 3966910
2-(azepan-1-yl)-N-[(2-methylphenyl)methyl]ethanamine
CID 60751882

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(2-methylphenyl)methyl]-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 2-methyl-4-[(2-methylphenyl)methyl]-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide (CID 42791446) is 2-methyl-4-[(2-methylphenyl)methyl]-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 2-methyl-4-[(2-methylphenyl)methyl]-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 2-methyl-4-[(2-methylphenyl)methyl]-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide is Cc1cc2c(cc(C(=O)NCCN3CCCCC3)n2Cc2ccccc2C)o1.
What is the InChIKey of 2-methyl-4-[(2-methylphenyl)methyl]-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide?
The InChIKey is FOHBSETYUSEXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-17-8-4-5-9-19(17)16-26-20-14-18(2)28-22(20)15-21(26)23(27)24-10-13-25-11-6-3-7-12-25/h4-5,8-9,14-15H,3,6-7,10-13,16H2,1-2H3,(H,24,27).
What are the key properties of 2-methyl-4-[(2-methylphenyl)methyl]-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide?
2-methyl-4-[(2-methylphenyl)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 2-methyl-4-[(2-methylphenyl)methyl]-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 42791446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).