(4-ethylpiperazin-1-yl)-[5-(pyridin-2-ylmethylamino)-3-pyridinyl]methanone

C18H23N5O — CID 109230428

IUPAC(4-ethylpiperazin-1-yl)-[5-(pyridin-2-ylmethylamino)-3-pyridinyl]methanone
SMILESCCN1CCN(C(=O)c2cncc(NCc3ccccn3)c2)CC1
InChIInChI=1S/C18H23N5O/c1-2-22-7-9-23(10-8-22)18(24)15-11-17(13-19-12-15)21-14-16-5-3-4-6-20-16/h3-6,11-13,21H,2,7-10,14H2,1H3
InChIKeyACFSNMWJWLGXIS-UHFFFAOYSA-N
MW325.42 g/mol
LogP1.87
Rot. Bonds5

About (4-ethylpiperazin-1-yl)-[5-(pyridin-2-ylmethylamino)-3-pyridinyl]methanone

(4-ethylpiperazin-1-yl)-[5-(pyridin-2-ylmethylamino)-3-pyridinyl]methanone (PubChem CID 109230428) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-[5-(pyridin-2-ylmethylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-[5-(pyridin-2-ylmethylamino)-3-pyridinyl]methanone
PubChem CID109230428
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name(4-ethylpiperazin-1-yl)-[5-(pyridin-2-ylmethylamino)-3-pyridinyl]methanone
SMILESCCN1CCN(C(=O)c2cncc(NCc3ccccn3)c2)CC1
InChIInChI=1S/C18H23N5O/c1-2-22-7-9-23(10-8-22)18(24)15-11-17(13-19-12-15)21-14-16-5-3-4-6-20-16/h3-6,11-13,21H,2,7-10,14H2,1H3
InChIKeyACFSNMWJWLGXIS-UHFFFAOYSA-N
XLogP1.87
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-(pyridin-2-ylmethylamino)pyridine-3-carbonyl]piperazine-1-carbaldehyde
CID 109230732
(4-phenylpiperazin-1-yl)-[5-(pyridin-2-ylmethylamino)-3-pyridinyl]methanone
CID 109235071
(4-ethylpiperazin-1-yl)-[5-[(2-fluorophenyl)methylamino]-3-pyridinyl]methanone
CID 109230420
(4-ethylpiperazin-1-yl)-[5-[(3-methylphenyl)methylamino]-3-pyridinyl]methanone
CID 109230416
3-(4-ethylpiperazine-1-carbonyl)-N-(pyridin-2-ylmethyl)benzamide
CID 109053648
[5-(benzylamino)-3-pyridinyl]-(4-benzylpiperazin-1-yl)methanone
CID 109231814
5-(4-methylpiperazine-1-carbonyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109104414
ethyl 4-[[5-(pyridin-2-ylmethylamino)pyridine-3-carbonyl]amino]piperidine-1-carboxylate
CID 109235079
[5-(3-bromoanilino)-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 109230538
1-[4-[5-[(2-fluorophenyl)methylamino]pyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 109231026
pyridin-3-yl-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 704367
ethyl 4-[6-(pyridin-2-ylmethylamino)pyridine-3-carbonyl]piperazine-1-carboxylate
CID 109157674

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-[5-(pyridin-2-ylmethylamino)-3-pyridinyl]methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-[5-(pyridin-2-ylmethylamino)-3-pyridinyl]methanone (CID 109230428) is (4-ethylpiperazin-1-yl)-[5-(pyridin-2-ylmethylamino)-3-pyridinyl]methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-[5-(pyridin-2-ylmethylamino)-3-pyridinyl]methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-[5-(pyridin-2-ylmethylamino)-3-pyridinyl]methanone is CCN1CCN(C(=O)c2cncc(NCc3ccccn3)c2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-[5-(pyridin-2-ylmethylamino)-3-pyridinyl]methanone?
The InChIKey is ACFSNMWJWLGXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-2-22-7-9-23(10-8-22)18(24)15-11-17(13-19-12-15)21-14-16-5-3-4-6-20-16/h3-6,11-13,21H,2,7-10,14H2,1H3.
What are the key properties of (4-ethylpiperazin-1-yl)-[5-(pyridin-2-ylmethylamino)-3-pyridinyl]methanone?
(4-ethylpiperazin-1-yl)-[5-(pyridin-2-ylmethylamino)-3-pyridinyl]methanone has a molecular weight of 325.42 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-[5-(pyridin-2-ylmethylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 109230428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).