N-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]pyridine-3-carboxamide

C22H23N5O — CID 113028773

IUPACN-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cn1)c1cccnc1
InChIInChI=1S/C22H23N5O/c28-22(19-7-4-10-23-15-19)25-21-9-8-20(16-24-21)27-13-11-26(12-14-27)17-18-5-2-1-3-6-18/h1-10,15-16H,11-14,17H2,(H,24,25,28)
InChIKeyWKAOYFWEKFJFOG-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.05
Rot. Bonds5

About N-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]pyridine-3-carboxamide

N-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]pyridine-3-carboxamide (PubChem CID 113028773) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is N-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]pyridine-3-carboxamide
PubChem CID113028773
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC NameN-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cn1)c1cccnc1
InChIInChI=1S/C22H23N5O/c28-22(19-7-4-10-23-15-19)25-21-9-8-20(16-24-21)27-13-11-26(12-14-27)17-18-5-2-1-3-6-18/h1-10,15-16H,11-14,17H2,(H,24,25,28)
InChIKeyWKAOYFWEKFJFOG-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide
CID 55646921
1-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]-3-phenylurea
CID 113028774
N-[5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]pyridine-3-carboxamide
CID 113031155
[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]hydrazine
CID 82055072
N-[5-(4-formylpiperazin-1-yl)-2-pyridinyl]benzamide
CID 113026047
N-[3-[(5-morpholin-4-yl-2-pyridinyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 55634320
N-[5-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridinyl]benzamide
CID 113029474
1-benzyl-4-pyridin-3-yl-1,4-diazepane
CID 22053417
N'-[5-amino-6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19139326
5-(4-benzylpiperazin-1-yl)-N-tert-butylpyridine-2-carboxamide
CID 109193366
5-(4-benzylpiperazin-1-yl)-N-cyclopentylpyridine-2-carboxamide
CID 109182201
2-(4-benzylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 18536294

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of N-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]pyridine-3-carboxamide (CID 113028773) is N-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for N-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]pyridine-3-carboxamide is O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cn1)c1cccnc1.
What is the InChIKey of N-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]pyridine-3-carboxamide?
The InChIKey is WKAOYFWEKFJFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c28-22(19-7-4-10-23-15-19)25-21-9-8-20(16-24-21)27-13-11-26(12-14-27)17-18-5-2-1-3-6-18/h1-10,15-16H,11-14,17H2,(H,24,25,28).
What are the key properties of N-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]pyridine-3-carboxamide?
N-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]pyridine-3-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 113028773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).