N-benzyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide

C22H23N5O — CID 109169442

IUPACN-benzyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide
SMILESO=C(NCc1ccccc1)c1ccnc(N2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C22H23N5O/c28-22(25-17-18-6-2-1-3-7-18)19-9-11-24-21(16-19)27-14-12-26(13-15-27)20-8-4-5-10-23-20/h1-11,16H,12-15,17H2,(H,25,28)
InChIKeyBVACQPVRJMBTQP-UHFFFAOYSA-N
MW373.46 g/mol
LogP2.73
Rot. Bonds5

About N-benzyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide

N-benzyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide (PubChem CID 109169442) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is N-benzyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide
PubChem CID109169442
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC NameN-benzyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide
SMILESO=C(NCc1ccccc1)c1ccnc(N2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C22H23N5O/c28-22(25-17-18-6-2-1-3-7-18)19-9-11-24-21(16-19)27-14-12-26(13-15-27)20-8-4-5-10-23-20/h1-11,16H,12-15,17H2,(H,25,28)
InChIKeyBVACQPVRJMBTQP-UHFFFAOYSA-N
XLogP2.73
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-pyridin-2-ylpiperazin-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 117087020
N-[(4-methylphenyl)methyl]-2-(4-phenylpiperazin-1-yl)pyridine-4-carboxamide
CID 109169913
N-benzyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
CID 109209654
N-[2-(4-hydroxyphenyl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide
CID 117091113
2-(4-benzylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
CID 109171652
N-[(4-chlorophenyl)methyl]-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide
CID 109168916
N-benzyl-6-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109327240
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
CID 109171642
N-[(4-methylphenyl)methyl]-3-nitro-4-(4-pyridin-2-ylpiperazin-1-yl)benzamide
CID 15996919
N-[(4-fluorophenyl)methyl]-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 109233560
4-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 55522332
2-(4-benzylpiperazin-1-yl)-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 109166760

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide?
The IUPAC name of N-benzyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide (CID 109169442) is N-benzyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-benzyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide?
The canonical SMILES for N-benzyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide is O=C(NCc1ccccc1)c1ccnc(N2CCN(c3ccccn3)CC2)c1.
What is the InChIKey of N-benzyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide?
The InChIKey is BVACQPVRJMBTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c28-22(25-17-18-6-2-1-3-7-18)19-9-11-24-21(16-19)27-14-12-26(13-15-27)20-8-4-5-10-23-20/h1-11,16H,12-15,17H2,(H,25,28).
What are the key properties of N-benzyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide?
N-benzyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 109169442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).