N-[4-(4-benzylpiperazin-1-yl)quinolin-3-yl]pyridine-2-carboxamide

C26H25N5O — CID 177373984

IUPACN-[4-(4-benzylpiperazin-1-yl)quinolin-3-yl]pyridine-2-carboxamide
SMILESO=C(Nc1cnc2ccccc2c1N1CCN(Cc2ccccc2)CC1)c1ccccn1
InChIInChI=1S/C26H25N5O/c32-26(23-12-6-7-13-27-23)29-24-18-28-22-11-5-4-10-21(22)25(24)31-16-14-30(15-17-31)19-20-8-2-1-3-9-20/h1-13,18H,14-17,19H2,(H,29,32)
InChIKeySQVFIXUVWIABPG-UHFFFAOYSA-N
MW423.52 g/mol
LogP4.20
Rot. Bonds5

About N-[4-(4-benzylpiperazin-1-yl)quinolin-3-yl]pyridine-2-carboxamide

N-[4-(4-benzylpiperazin-1-yl)quinolin-3-yl]pyridine-2-carboxamide (PubChem CID 177373984) has the molecular formula C26H25N5O and a molecular weight of 423.52 g/mol. Its IUPAC name is N-[4-(4-benzylpiperazin-1-yl)quinolin-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-benzylpiperazin-1-yl)quinolin-3-yl]pyridine-2-carboxamide
PubChem CID177373984
Molecular FormulaC26H25N5O
Molecular Weight423.52 g/mol
Exact Mass423.21
IUPAC NameN-[4-(4-benzylpiperazin-1-yl)quinolin-3-yl]pyridine-2-carboxamide
SMILESO=C(Nc1cnc2ccccc2c1N1CCN(Cc2ccccc2)CC1)c1ccccn1
InChIInChI=1S/C26H25N5O/c32-26(23-12-6-7-13-27-23)29-24-18-28-22-11-5-4-10-21(22)25(24)31-16-14-30(15-17-31)19-20-8-2-1-3-9-20/h1-13,18H,14-17,19H2,(H,29,32)
InChIKeySQVFIXUVWIABPG-UHFFFAOYSA-N
XLogP4.20
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-benzylpiperazin-1-yl)quinolin-3-yl]pyridine-2-carboxamide?
The IUPAC name of N-[4-(4-benzylpiperazin-1-yl)quinolin-3-yl]pyridine-2-carboxamide (CID 177373984) is N-[4-(4-benzylpiperazin-1-yl)quinolin-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-(4-benzylpiperazin-1-yl)quinolin-3-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-(4-benzylpiperazin-1-yl)quinolin-3-yl]pyridine-2-carboxamide is O=C(Nc1cnc2ccccc2c1N1CCN(Cc2ccccc2)CC1)c1ccccn1.
What is the InChIKey of N-[4-(4-benzylpiperazin-1-yl)quinolin-3-yl]pyridine-2-carboxamide?
The InChIKey is SQVFIXUVWIABPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O/c32-26(23-12-6-7-13-27-23)29-24-18-28-22-11-5-4-10-21(22)25(24)31-16-14-30(15-17-31)19-20-8-2-1-3-9-20/h1-13,18H,14-17,19H2,(H,29,32).
What are the key properties of N-[4-(4-benzylpiperazin-1-yl)quinolin-3-yl]pyridine-2-carboxamide?
N-[4-(4-benzylpiperazin-1-yl)quinolin-3-yl]pyridine-2-carboxamide has a molecular weight of 423.52 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-benzylpiperazin-1-yl)quinolin-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 177373984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).