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

C22H23N5O — CID 109209654

IUPACN-benzyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
SMILESO=C(NCc1ccccc1)c1cc(N2CCN(c3ccccn3)CC2)ccn1
InChIInChI=1S/C22H23N5O/c28-22(25-17-18-6-2-1-3-7-18)20-16-19(9-11-23-20)26-12-14-27(15-13-26)21-8-4-5-10-24-21/h1-11,16H,12-15,17H2,(H,25,28)
InChIKeyRFOXEXAQHUNRAU-UHFFFAOYSA-N
MW373.46 g/mol
LogP2.73
Rot. Bonds5

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

N-benzyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide (PubChem CID 109209654) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is N-benzyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
PubChem CID109209654
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC NameN-benzyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
SMILESO=C(NCc1ccccc1)c1cc(N2CCN(c3ccccn3)CC2)ccn1
InChIInChI=1S/C22H23N5O/c28-22(25-17-18-6-2-1-3-7-18)20-16-19(9-11-23-20)26-12-14-27(15-13-26)21-8-4-5-10-24-21/h1-11,16H,12-15,17H2,(H,25,28)
InChIKeyRFOXEXAQHUNRAU-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

N-benzyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide
CID 109169442
N-benzyl-6-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109327240
N-[(4-fluorophenyl)methyl]-4-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109211394
4-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109212679
N-(pyridin-4-ylmethyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
CID 109191479
N-benzyl-4-(4-propyl-1,4-diazepan-1-yl)pyridine-2-carboxamide
CID 133342674
N-benzyl-4-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 166208623
N-[(3-methylphenyl)methyl]-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
CID 109210191
4-piperidin-1-yl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109204576
N-[(3-methylphenyl)methyl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109347173
4-[4-(2-fluorophenyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109213263
N-benzyl-4-[4-[2-(2-fluoroanilino)-2-oxoethyl]piperazin-1-yl]pyridine-2-carboxamide
CID 133417321

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-benzyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide (CID 109209654) is N-benzyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-benzyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-benzyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide is O=C(NCc1ccccc1)c1cc(N2CCN(c3ccccn3)CC2)ccn1.
What is the InChIKey of N-benzyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide?
The InChIKey is RFOXEXAQHUNRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c28-22(25-17-18-6-2-1-3-7-18)20-16-19(9-11-23-20)26-12-14-27(15-13-26)21-8-4-5-10-24-21/h1-11,16H,12-15,17H2,(H,25,28).
What are the key properties of N-benzyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide?
N-benzyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-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-4-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 109209654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).