4-[(4-chlorophenyl)methyl]-2-methyl-N-(pyridin-3-ylmethyl)furo[3,2-b]pyrrole-5-carboxamide

C21H18ClN3O2 — CID 3238684

IUPAC4-[(4-chlorophenyl)methyl]-2-methyl-N-(pyridin-3-ylmethyl)furo[3,2-b]pyrrole-5-carboxamide
SMILESCc1cc2c(cc(C(=O)NCc3cccnc3)n2Cc2ccc(Cl)cc2)o1
InChIInChI=1S/C21H18ClN3O2/c1-14-9-18-20(27-14)10-19(21(26)24-12-16-3-2-8-23-11-16)25(18)13-15-4-6-17(22)7-5-15/h2-11H,12-13H2,1H3,(H,24,26)
InChIKeyMGGKTAQREZGTDU-UHFFFAOYSA-N
MW379.85 g/mol
LogP4.57
Rot. Bonds5

About 4-[(4-chlorophenyl)methyl]-2-methyl-N-(pyridin-3-ylmethyl)furo[3,2-b]pyrrole-5-carboxamide

4-[(4-chlorophenyl)methyl]-2-methyl-N-(pyridin-3-ylmethyl)furo[3,2-b]pyrrole-5-carboxamide (PubChem CID 3238684) has the molecular formula C21H18ClN3O2 and a molecular weight of 379.85 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methyl]-2-methyl-N-(pyridin-3-ylmethyl)furo[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methyl]-2-methyl-N-(pyridin-3-ylmethyl)furo[3,2-b]pyrrole-5-carboxamide
PubChem CID3238684
Molecular FormulaC21H18ClN3O2
Molecular Weight379.85 g/mol
Exact Mass379.11
IUPAC Name4-[(4-chlorophenyl)methyl]-2-methyl-N-(pyridin-3-ylmethyl)furo[3,2-b]pyrrole-5-carboxamide
SMILESCc1cc2c(cc(C(=O)NCc3cccnc3)n2Cc2ccc(Cl)cc2)o1
InChIInChI=1S/C21H18ClN3O2/c1-14-9-18-20(27-14)10-19(21(26)24-12-16-3-2-8-23-11-16)25(18)13-15-4-6-17(22)7-5-15/h2-11H,12-13H2,1H3,(H,24,26)
InChIKeyMGGKTAQREZGTDU-UHFFFAOYSA-N
XLogP4.57
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methyl]-2-methyl-N-(pyridin-3-ylmethyl)furo[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 4-[(4-chlorophenyl)methyl]-2-methyl-N-(pyridin-3-ylmethyl)furo[3,2-b]pyrrole-5-carboxamide (CID 3238684) is 4-[(4-chlorophenyl)methyl]-2-methyl-N-(pyridin-3-ylmethyl)furo[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 4-[(4-chlorophenyl)methyl]-2-methyl-N-(pyridin-3-ylmethyl)furo[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 4-[(4-chlorophenyl)methyl]-2-methyl-N-(pyridin-3-ylmethyl)furo[3,2-b]pyrrole-5-carboxamide is Cc1cc2c(cc(C(=O)NCc3cccnc3)n2Cc2ccc(Cl)cc2)o1.
What is the InChIKey of 4-[(4-chlorophenyl)methyl]-2-methyl-N-(pyridin-3-ylmethyl)furo[3,2-b]pyrrole-5-carboxamide?
The InChIKey is MGGKTAQREZGTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O2/c1-14-9-18-20(27-14)10-19(21(26)24-12-16-3-2-8-23-11-16)25(18)13-15-4-6-17(22)7-5-15/h2-11H,12-13H2,1H3,(H,24,26).
What are the key properties of 4-[(4-chlorophenyl)methyl]-2-methyl-N-(pyridin-3-ylmethyl)furo[3,2-b]pyrrole-5-carboxamide?
4-[(4-chlorophenyl)methyl]-2-methyl-N-(pyridin-3-ylmethyl)furo[3,2-b]pyrrole-5-carboxamide has a molecular weight of 379.85 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methyl]-2-methyl-N-(pyridin-3-ylmethyl)furo[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 3238684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).