2-[1-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]piperidin-3-yl]-N-methyl-1H-pyrrole-3-carboxamide

C20H23N5O3 — CID 91910394

IUPAC2-[1-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]piperidin-3-yl]-N-methyl-1H-pyrrole-3-carboxamide
SMILESCNC(=O)c1cc[nH]c1C1CCCN(C(=O)c2ccc(Cn3ccnc3)o2)C1
InChIInChI=1S/C20H23N5O3/c1-21-19(26)16-6-7-23-18(16)14-3-2-9-25(11-14)20(27)17-5-4-15(28-17)12-24-10-8-22-13-24/h4-8,10,13-14,23H,2-3,9,11-12H2,1H3,(H,21,26)
InChIKeyLOYXXODFSJRKFP-UHFFFAOYSA-N
MW381.44 g/mol
LogP2.23
Rot. Bonds5

About 2-[1-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]piperidin-3-yl]-N-methyl-1H-pyrrole-3-carboxamide

2-[1-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]piperidin-3-yl]-N-methyl-1H-pyrrole-3-carboxamide (PubChem CID 91910394) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 2-[1-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]piperidin-3-yl]-N-methyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-[1-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]piperidin-3-yl]-N-methyl-1H-pyrrole-3-carboxamide
PubChem CID91910394
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name2-[1-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]piperidin-3-yl]-N-methyl-1H-pyrrole-3-carboxamide
SMILESCNC(=O)c1cc[nH]c1C1CCCN(C(=O)c2ccc(Cn3ccnc3)o2)C1
InChIInChI=1S/C20H23N5O3/c1-21-19(26)16-6-7-23-18(16)14-3-2-9-25(11-14)20(27)17-5-4-15(28-17)12-24-10-8-22-13-24/h4-8,10,13-14,23H,2-3,9,11-12H2,1H3,(H,21,26)
InChIKeyLOYXXODFSJRKFP-UHFFFAOYSA-N
XLogP2.23
TPSA96.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]piperidin-3-yl]-N-methyl-1H-pyrrole-3-carboxamide?
The IUPAC name of 2-[1-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]piperidin-3-yl]-N-methyl-1H-pyrrole-3-carboxamide (CID 91910394) is 2-[1-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]piperidin-3-yl]-N-methyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 2-[1-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]piperidin-3-yl]-N-methyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for 2-[1-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]piperidin-3-yl]-N-methyl-1H-pyrrole-3-carboxamide is CNC(=O)c1cc[nH]c1C1CCCN(C(=O)c2ccc(Cn3ccnc3)o2)C1.
What is the InChIKey of 2-[1-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]piperidin-3-yl]-N-methyl-1H-pyrrole-3-carboxamide?
The InChIKey is LOYXXODFSJRKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-21-19(26)16-6-7-23-18(16)14-3-2-9-25(11-14)20(27)17-5-4-15(28-17)12-24-10-8-22-13-24/h4-8,10,13-14,23H,2-3,9,11-12H2,1H3,(H,21,26).
What are the key properties of 2-[1-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]piperidin-3-yl]-N-methyl-1H-pyrrole-3-carboxamide?
2-[1-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]piperidin-3-yl]-N-methyl-1H-pyrrole-3-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]piperidin-3-yl]-N-methyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 91910394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).