2-[1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbonyl]piperidin-3-yl]-1H-pyrrole-3-carboxamide

C22H26N4O3 — CID 91921621

IUPAC2-[1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbonyl]piperidin-3-yl]-1H-pyrrole-3-carboxamide
SMILESCc1cc(C(=O)N2CCCC(c3[nH]ccc3C(N)=O)C2)c(C)n1Cc1ccco1
InChIInChI=1S/C22H26N4O3/c1-14-11-19(15(2)26(14)13-17-6-4-10-29-17)22(28)25-9-3-5-16(12-25)20-18(21(23)27)7-8-24-20/h4,6-8,10-11,16,24H,3,5,9,12-13H2,1-2H3,(H2,23,27)
InChIKeyOYSNGHMRNUNVOG-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.19
Rot. Bonds5

About 2-[1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbonyl]piperidin-3-yl]-1H-pyrrole-3-carboxamide

2-[1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbonyl]piperidin-3-yl]-1H-pyrrole-3-carboxamide (PubChem CID 91921621) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 2-[1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbonyl]piperidin-3-yl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-[1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbonyl]piperidin-3-yl]-1H-pyrrole-3-carboxamide
PubChem CID91921621
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name2-[1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbonyl]piperidin-3-yl]-1H-pyrrole-3-carboxamide
SMILESCc1cc(C(=O)N2CCCC(c3[nH]ccc3C(N)=O)C2)c(C)n1Cc1ccco1
InChIInChI=1S/C22H26N4O3/c1-14-11-19(15(2)26(14)13-17-6-4-10-29-17)22(28)25-9-3-5-16(12-25)20-18(21(23)27)7-8-24-20/h4,6-8,10-11,16,24H,3,5,9,12-13H2,1-2H3,(H2,23,27)
InChIKeyOYSNGHMRNUNVOG-UHFFFAOYSA-N
XLogP3.19
TPSA97.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbonyl]piperidin-3-yl]-1H-pyrrole-3-carboxamide?
The IUPAC name of 2-[1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbonyl]piperidin-3-yl]-1H-pyrrole-3-carboxamide (CID 91921621) is 2-[1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbonyl]piperidin-3-yl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 2-[1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbonyl]piperidin-3-yl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for 2-[1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbonyl]piperidin-3-yl]-1H-pyrrole-3-carboxamide is Cc1cc(C(=O)N2CCCC(c3[nH]ccc3C(N)=O)C2)c(C)n1Cc1ccco1.
What is the InChIKey of 2-[1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbonyl]piperidin-3-yl]-1H-pyrrole-3-carboxamide?
The InChIKey is OYSNGHMRNUNVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-14-11-19(15(2)26(14)13-17-6-4-10-29-17)22(28)25-9-3-5-16(12-25)20-18(21(23)27)7-8-24-20/h4,6-8,10-11,16,24H,3,5,9,12-13H2,1-2H3,(H2,23,27).
What are the key properties of 2-[1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbonyl]piperidin-3-yl]-1H-pyrrole-3-carboxamide?
2-[1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbonyl]piperidin-3-yl]-1H-pyrrole-3-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbonyl]piperidin-3-yl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 91921621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).