[5-(benzylamino)-3-pyridinyl]-(4-benzylpiperazin-1-yl)methanone

C24H26N4O — CID 109231814

IUPAC[5-(benzylamino)-3-pyridinyl]-(4-benzylpiperazin-1-yl)methanone
SMILESO=C(c1cncc(NCc2ccccc2)c1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H26N4O/c29-24(28-13-11-27(12-14-28)19-21-9-5-2-6-10-21)22-15-23(18-25-17-22)26-16-20-7-3-1-4-8-20/h1-10,15,17-18,26H,11-14,16,19H2
InChIKeyBMWKJWMMWAHYDZ-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.65
Rot. Bonds6

About [5-(benzylamino)-3-pyridinyl]-(4-benzylpiperazin-1-yl)methanone

[5-(benzylamino)-3-pyridinyl]-(4-benzylpiperazin-1-yl)methanone (PubChem CID 109231814) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is [5-(benzylamino)-3-pyridinyl]-(4-benzylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-(benzylamino)-3-pyridinyl]-(4-benzylpiperazin-1-yl)methanone
PubChem CID109231814
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name[5-(benzylamino)-3-pyridinyl]-(4-benzylpiperazin-1-yl)methanone
SMILESO=C(c1cncc(NCc2ccccc2)c1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H26N4O/c29-24(28-13-11-27(12-14-28)19-21-9-5-2-6-10-21)22-15-23(18-25-17-22)26-16-20-7-3-1-4-8-20/h1-10,15,17-18,26H,11-14,16,19H2
InChIKeyBMWKJWMMWAHYDZ-UHFFFAOYSA-N
XLogP3.65
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

azepan-1-yl-[5-(benzylamino)-3-pyridinyl]methanone
CID 109231844
(4-benzylpiperazin-1-yl)-[5-(cyclopropylamino)-3-pyridinyl]methanone
CID 109223799
(4-benzylpiperazin-1-yl)-[5-(2-methoxyethylamino)-3-pyridinyl]methanone
CID 109227858
(4-benzylpiperazin-1-yl)-[5-(3-methylbutylamino)-3-pyridinyl]methanone
CID 109237466
(4-benzylpiperazin-1-yl)-[5-[3-(dimethylamino)propylamino]-3-pyridinyl]methanone
CID 109229924
[5-(benzylamino)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109231816
(4-ethylpiperazin-1-yl)-[5-[(3-methylphenyl)methylamino]-3-pyridinyl]methanone
CID 109230416
1-[4-[5-[(4-chlorophenyl)methylamino]pyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 109231029
(4-benzylpiperazin-1-yl)-pyrimidin-5-ylmethanone
CID 110853065
morpholin-4-yl-[5-(pyridin-3-ylmethylamino)-3-pyridinyl]methanone
CID 109228393
(4-ethylpiperazin-1-yl)-[5-[(2-fluorophenyl)methylamino]-3-pyridinyl]methanone
CID 109230420
5-(4-benzylpiperazine-1-carbonyl)-N-butylpyridine-3-carboxamide
CID 109101958

Frequently Asked Questions

What is the IUPAC name of [5-(benzylamino)-3-pyridinyl]-(4-benzylpiperazin-1-yl)methanone?
The IUPAC name of [5-(benzylamino)-3-pyridinyl]-(4-benzylpiperazin-1-yl)methanone (CID 109231814) is [5-(benzylamino)-3-pyridinyl]-(4-benzylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-(benzylamino)-3-pyridinyl]-(4-benzylpiperazin-1-yl)methanone?
The canonical SMILES for [5-(benzylamino)-3-pyridinyl]-(4-benzylpiperazin-1-yl)methanone is O=C(c1cncc(NCc2ccccc2)c1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of [5-(benzylamino)-3-pyridinyl]-(4-benzylpiperazin-1-yl)methanone?
The InChIKey is BMWKJWMMWAHYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c29-24(28-13-11-27(12-14-28)19-21-9-5-2-6-10-21)22-15-23(18-25-17-22)26-16-20-7-3-1-4-8-20/h1-10,15,17-18,26H,11-14,16,19H2.
What are the key properties of [5-(benzylamino)-3-pyridinyl]-(4-benzylpiperazin-1-yl)methanone?
[5-(benzylamino)-3-pyridinyl]-(4-benzylpiperazin-1-yl)methanone has a molecular weight of 386.50 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(benzylamino)-3-pyridinyl]-(4-benzylpiperazin-1-yl)methanone is sourced from PubChem (CID 109231814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).