5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]furan-2-carboxamide

C23H26N4O2 — CID 11669846

IUPAC5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]furan-2-carboxamide
SMILESCC1CCN(c2cc(C3=CCNCC3)ccc2NC(=O)c2ccc(C#N)o2)CC1
InChIInChI=1S/C23H26N4O2/c1-16-8-12-27(13-9-16)21-14-18(17-6-10-25-11-7-17)2-4-20(21)26-23(28)22-5-3-19(15-24)29-22/h2-6,14,16,25H,7-13H2,1H3,(H,26,28)
InChIKeyRQFFOLKOUGRFPD-UHFFFAOYSA-N
MW390.49 g/mol
LogP4.02
Rot. Bonds4

About 5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]furan-2-carboxamide

5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]furan-2-carboxamide (PubChem CID 11669846) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]furan-2-carboxamide
PubChem CID11669846
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]furan-2-carboxamide
SMILESCC1CCN(c2cc(C3=CCNCC3)ccc2NC(=O)c2ccc(C#N)o2)CC1
InChIInChI=1S/C23H26N4O2/c1-16-8-12-27(13-9-16)21-14-18(17-6-10-25-11-7-17)2-4-20(21)26-23(28)22-5-3-19(15-24)29-22/h2-6,14,16,25H,7-13H2,1H3,(H,26,28)
InChIKeyRQFFOLKOUGRFPD-UHFFFAOYSA-N
XLogP4.02
TPSA81.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]furan-2-carboxamide (CID 11669846) is 5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]furan-2-carboxamide is CC1CCN(c2cc(C3=CCNCC3)ccc2NC(=O)c2ccc(C#N)o2)CC1.
What is the InChIKey of 5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]furan-2-carboxamide?
The InChIKey is RQFFOLKOUGRFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-16-8-12-27(13-9-16)21-14-18(17-6-10-25-11-7-17)2-4-20(21)26-23(28)22-5-3-19(15-24)29-22/h2-6,14,16,25H,7-13H2,1H3,(H,26,28).
What are the key properties of 5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]furan-2-carboxamide?
5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]furan-2-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 11669846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).