N-[5-chloro-4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]-5-cyano-N-methylfuran-2-carboxamide

C23H28ClN5O2 — CID 70990938

IUPACN-[5-chloro-4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]-5-cyano-N-methylfuran-2-carboxamide
SMILESCN1CCN(c2cc(N3CCCCC3)c(N(C)C(=O)c3ccc(C#N)o3)cc2Cl)CC1
InChIInChI=1S/C23H28ClN5O2/c1-26-10-12-29(13-11-26)19-15-21(28-8-4-3-5-9-28)20(14-18(19)24)27(2)23(30)22-7-6-17(16-25)31-22/h6-7,14-15H,3-5,8-13H2,1-2H3
InChIKeyIRAVJUSCJQDSRK-UHFFFAOYSA-N
MW441.96 g/mol
LogP3.82
Rot. Bonds4

About N-[5-chloro-4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]-5-cyano-N-methylfuran-2-carboxamide

N-[5-chloro-4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]-5-cyano-N-methylfuran-2-carboxamide (PubChem CID 70990938) has the molecular formula C23H28ClN5O2 and a molecular weight of 441.96 g/mol. Its IUPAC name is N-[5-chloro-4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]-5-cyano-N-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]-5-cyano-N-methylfuran-2-carboxamide
PubChem CID70990938
Molecular FormulaC23H28ClN5O2
Molecular Weight441.96 g/mol
Exact Mass441.19
IUPAC NameN-[5-chloro-4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]-5-cyano-N-methylfuran-2-carboxamide
SMILESCN1CCN(c2cc(N3CCCCC3)c(N(C)C(=O)c3ccc(C#N)o3)cc2Cl)CC1
InChIInChI=1S/C23H28ClN5O2/c1-26-10-12-29(13-11-26)19-15-21(28-8-4-3-5-9-28)20(14-18(19)24)27(2)23(30)22-7-6-17(16-25)31-22/h6-7,14-15H,3-5,8-13H2,1-2H3
InChIKeyIRAVJUSCJQDSRK-UHFFFAOYSA-N
XLogP3.82
TPSA66.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.96
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]-5-cyano-N-methylfuran-2-carboxamide?
The IUPAC name of N-[5-chloro-4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]-5-cyano-N-methylfuran-2-carboxamide (CID 70990938) is N-[5-chloro-4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]-5-cyano-N-methylfuran-2-carboxamide.
What is the SMILES notation for N-[5-chloro-4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]-5-cyano-N-methylfuran-2-carboxamide?
The canonical SMILES for N-[5-chloro-4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]-5-cyano-N-methylfuran-2-carboxamide is CN1CCN(c2cc(N3CCCCC3)c(N(C)C(=O)c3ccc(C#N)o3)cc2Cl)CC1.
What is the InChIKey of N-[5-chloro-4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]-5-cyano-N-methylfuran-2-carboxamide?
The InChIKey is IRAVJUSCJQDSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN5O2/c1-26-10-12-29(13-11-26)19-15-21(28-8-4-3-5-9-28)20(14-18(19)24)27(2)23(30)22-7-6-17(16-25)31-22/h6-7,14-15H,3-5,8-13H2,1-2H3.
What are the key properties of N-[5-chloro-4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]-5-cyano-N-methylfuran-2-carboxamide?
N-[5-chloro-4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]-5-cyano-N-methylfuran-2-carboxamide has a molecular weight of 441.96 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]-5-cyano-N-methylfuran-2-carboxamide is sourced from PubChem (CID 70990938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).