4-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide

C23H25N5O — CID 109212679

IUPAC4-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1ccccn1)c1cc(N2CCN(Cc3ccccc3)CC2)ccn1
InChIInChI=1S/C23H25N5O/c29-23(26-17-20-8-4-5-10-24-20)22-16-21(9-11-25-22)28-14-12-27(13-15-28)18-19-6-2-1-3-7-19/h1-11,16H,12-15,17-18H2,(H,26,29)
InChIKeyXZBBPZCSXLOVHS-UHFFFAOYSA-N
MW387.49 g/mol
LogP2.73
Rot. Bonds6

About 4-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide

4-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide (PubChem CID 109212679) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is 4-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
PubChem CID109212679
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name4-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1ccccn1)c1cc(N2CCN(Cc3ccccc3)CC2)ccn1
InChIInChI=1S/C23H25N5O/c29-23(26-17-20-8-4-5-10-24-20)22-16-21(9-11-25-22)28-14-12-27(13-15-28)18-19-6-2-1-3-7-19/h1-11,16H,12-15,17-18H2,(H,26,29)
InChIKeyXZBBPZCSXLOVHS-UHFFFAOYSA-N
XLogP2.73
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-piperidin-1-yl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109204576
4-[4-(3-methylphenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109212690
4-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109212692
N-benzyl-4-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 166208623
4-[(4-benzylpiperazin-1-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 46055500
N-benzyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
CID 109209654
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109212686
2-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 46488455
5-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109190892
N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]pyridine-2-carboxamide
CID 39173441
5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 42850938
N-benzyl-4-(4-propyl-1,4-diazepan-1-yl)pyridine-2-carboxamide
CID 133342674

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 4-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide (CID 109212679) is 4-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide is O=C(NCc1ccccn1)c1cc(N2CCN(Cc3ccccc3)CC2)ccn1.
What is the InChIKey of 4-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide?
The InChIKey is XZBBPZCSXLOVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c29-23(26-17-20-8-4-5-10-24-20)22-16-21(9-11-25-22)28-14-12-27(13-15-28)18-19-6-2-1-3-7-19/h1-11,16H,12-15,17-18H2,(H,26,29).
What are the key properties of 4-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide?
4-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide has a molecular weight of 387.49 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109212679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).