5-cyano-N-[4-(4-methylpiperazin-1-yl)-2-(4-methylpiperidin-1-yl)phenyl]furan-2-carboxamide

C23H29N5O2 — CID 11690004

IUPAC5-cyano-N-[4-(4-methylpiperazin-1-yl)-2-(4-methylpiperidin-1-yl)phenyl]furan-2-carboxamide
SMILESCC1CCN(c2cc(N3CCN(C)CC3)ccc2NC(=O)c2ccc(C#N)o2)CC1
InChIInChI=1S/C23H29N5O2/c1-17-7-9-28(10-8-17)21-15-18(27-13-11-26(2)12-14-27)3-5-20(21)25-23(29)22-6-4-19(16-24)30-22/h3-6,15,17H,7-14H2,1-2H3,(H,25,29)
InChIKeyVPVJZBBTXRKDKI-UHFFFAOYSA-N
MW407.52 g/mol
LogP3.39
Rot. Bonds4

About 5-cyano-N-[4-(4-methylpiperazin-1-yl)-2-(4-methylpiperidin-1-yl)phenyl]furan-2-carboxamide

5-cyano-N-[4-(4-methylpiperazin-1-yl)-2-(4-methylpiperidin-1-yl)phenyl]furan-2-carboxamide (PubChem CID 11690004) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is 5-cyano-N-[4-(4-methylpiperazin-1-yl)-2-(4-methylpiperidin-1-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[4-(4-methylpiperazin-1-yl)-2-(4-methylpiperidin-1-yl)phenyl]furan-2-carboxamide
PubChem CID11690004
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Name5-cyano-N-[4-(4-methylpiperazin-1-yl)-2-(4-methylpiperidin-1-yl)phenyl]furan-2-carboxamide
SMILESCC1CCN(c2cc(N3CCN(C)CC3)ccc2NC(=O)c2ccc(C#N)o2)CC1
InChIInChI=1S/C23H29N5O2/c1-17-7-9-28(10-8-17)21-15-18(27-13-11-26(2)12-14-27)3-5-20(21)25-23(29)22-6-4-19(16-24)30-22/h3-6,15,17H,7-14H2,1-2H3,(H,25,29)
InChIKeyVPVJZBBTXRKDKI-UHFFFAOYSA-N
XLogP3.39
TPSA75.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[4-(4-methylpiperazin-1-yl)-2-(4-methylpiperidin-1-yl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-cyano-N-[4-(4-methylpiperazin-1-yl)-2-(4-methylpiperidin-1-yl)phenyl]furan-2-carboxamide (CID 11690004) is 5-cyano-N-[4-(4-methylpiperazin-1-yl)-2-(4-methylpiperidin-1-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[4-(4-methylpiperazin-1-yl)-2-(4-methylpiperidin-1-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-cyano-N-[4-(4-methylpiperazin-1-yl)-2-(4-methylpiperidin-1-yl)phenyl]furan-2-carboxamide is CC1CCN(c2cc(N3CCN(C)CC3)ccc2NC(=O)c2ccc(C#N)o2)CC1.
What is the InChIKey of 5-cyano-N-[4-(4-methylpiperazin-1-yl)-2-(4-methylpiperidin-1-yl)phenyl]furan-2-carboxamide?
The InChIKey is VPVJZBBTXRKDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-17-7-9-28(10-8-17)21-15-18(27-13-11-26(2)12-14-27)3-5-20(21)25-23(29)22-6-4-19(16-24)30-22/h3-6,15,17H,7-14H2,1-2H3,(H,25,29).
What are the key properties of 5-cyano-N-[4-(4-methylpiperazin-1-yl)-2-(4-methylpiperidin-1-yl)phenyl]furan-2-carboxamide?
5-cyano-N-[4-(4-methylpiperazin-1-yl)-2-(4-methylpiperidin-1-yl)phenyl]furan-2-carboxamide has a molecular weight of 407.52 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[4-(4-methylpiperazin-1-yl)-2-(4-methylpiperidin-1-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 11690004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).