(4-benzylpiperazin-1-yl)-[4-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone

C23H25N5O — CID 109213109

IUPAC(4-benzylpiperazin-1-yl)-[4-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone
SMILESO=C(c1cc(NCc2cccnc2)ccn1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H25N5O/c29-23(28-13-11-27(12-14-28)18-19-5-2-1-3-6-19)22-15-21(8-10-25-22)26-17-20-7-4-9-24-16-20/h1-10,15-16H,11-14,17-18H2,(H,25,26)
InChIKeyFCFHFFUITPYJDO-UHFFFAOYSA-N
MW387.49 g/mol
LogP3.05
Rot. Bonds6

About (4-benzylpiperazin-1-yl)-[4-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone

(4-benzylpiperazin-1-yl)-[4-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone (PubChem CID 109213109) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-[4-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-[4-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone
PubChem CID109213109
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name(4-benzylpiperazin-1-yl)-[4-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone
SMILESO=C(c1cc(NCc2cccnc2)ccn1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H25N5O/c29-23(28-13-11-27(12-14-28)18-19-5-2-1-3-6-19)22-15-21(8-10-25-22)26-17-20-7-4-9-24-16-20/h1-10,15-16H,11-14,17-18H2,(H,25,26)
InChIKeyFCFHFFUITPYJDO-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methylpiperazin-1-yl)-[4-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone
CID 109208075
(4-methylpiperidin-1-yl)-[4-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone
CID 109205096
N-phenyl-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109213139
(4-benzylpiperazin-1-yl)-[4-(butan-2-ylamino)-2-pyridinyl]methanone
CID 109203469
[4-(benzylamino)-2-pyridinyl]-(4-benzylpiperidin-1-yl)methanone
CID 109209814
[5-(benzylamino)-3-pyridinyl]-(4-benzylpiperazin-1-yl)methanone
CID 109231814
methyl 4-(pyridin-3-ylmethylamino)pyridine-2-carboxylate
CID 66008856
(4-methylpiperazin-1-yl)-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone
CID 109186273
azepan-1-yl-[4-(pyridin-4-ylmethylamino)-2-pyridinyl]methanone
CID 109213422
(4-phenylpiperazin-1-yl)-[2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]methanone
CID 109307181
N-(4-piperidin-1-ylphenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109213203
1-[4-[4-[(4-chlorophenyl)methylamino]pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109209018

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-[4-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-[4-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone (CID 109213109) is (4-benzylpiperazin-1-yl)-[4-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-[4-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-[4-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone is O=C(c1cc(NCc2cccnc2)ccn1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-[4-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone?
The InChIKey is FCFHFFUITPYJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c29-23(28-13-11-27(12-14-28)18-19-5-2-1-3-6-19)22-15-21(8-10-25-22)26-17-20-7-4-9-24-16-20/h1-10,15-16H,11-14,17-18H2,(H,25,26).
What are the key properties of (4-benzylpiperazin-1-yl)-[4-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone?
(4-benzylpiperazin-1-yl)-[4-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone has a molecular weight of 387.49 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-[4-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone is sourced from PubChem (CID 109213109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).