(4-ethylpiperazin-1-yl)-[5-[(3-methylphenyl)methylamino]-3-pyridinyl]methanone

C20H26N4O — CID 109230416

IUPAC(4-ethylpiperazin-1-yl)-[5-[(3-methylphenyl)methylamino]-3-pyridinyl]methanone
SMILESCCN1CCN(C(=O)c2cncc(NCc3cccc(C)c3)c2)CC1
InChIInChI=1S/C20H26N4O/c1-3-23-7-9-24(10-8-23)20(25)18-12-19(15-21-14-18)22-13-17-6-4-5-16(2)11-17/h4-6,11-12,14-15,22H,3,7-10,13H2,1-2H3
InChIKeyKRPNRVCHRSTPJE-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.78
Rot. Bonds5

About (4-ethylpiperazin-1-yl)-[5-[(3-methylphenyl)methylamino]-3-pyridinyl]methanone

(4-ethylpiperazin-1-yl)-[5-[(3-methylphenyl)methylamino]-3-pyridinyl]methanone (PubChem CID 109230416) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-[5-[(3-methylphenyl)methylamino]-3-pyridinyl]methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-[5-[(3-methylphenyl)methylamino]-3-pyridinyl]methanone
PubChem CID109230416
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name(4-ethylpiperazin-1-yl)-[5-[(3-methylphenyl)methylamino]-3-pyridinyl]methanone
SMILESCCN1CCN(C(=O)c2cncc(NCc3cccc(C)c3)c2)CC1
InChIInChI=1S/C20H26N4O/c1-3-23-7-9-24(10-8-23)20(25)18-12-19(15-21-14-18)22-13-17-6-4-5-16(2)11-17/h4-6,11-12,14-15,22H,3,7-10,13H2,1-2H3
InChIKeyKRPNRVCHRSTPJE-UHFFFAOYSA-N
XLogP2.78
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-[(3-methylphenyl)methylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109227012
5-(4-ethylpiperazine-1-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 109104539
[5-(benzylamino)-3-pyridinyl]-(4-benzylpiperazin-1-yl)methanone
CID 109231814
(4-ethylpiperazin-1-yl)-[5-(pyridin-2-ylmethylamino)-3-pyridinyl]methanone
CID 109230428
(4-ethylpiperazin-1-yl)-[5-[(2-fluorophenyl)methylamino]-3-pyridinyl]methanone
CID 109230420
azepan-1-yl-[5-(benzylamino)-3-pyridinyl]methanone
CID 109231844
[5-(3-bromoanilino)-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 109230538
(4-ethylpiperazin-1-yl)-[2-[(3-methylphenyl)methylamino]pyrimidin-4-yl]methanone
CID 109302527
N-tert-butyl-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232386
N-(4-methylphenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232401
5-(benzylamino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 109231789
2-(4-ethylpiperazine-1-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide
CID 109084527

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-[5-[(3-methylphenyl)methylamino]-3-pyridinyl]methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-[5-[(3-methylphenyl)methylamino]-3-pyridinyl]methanone (CID 109230416) is (4-ethylpiperazin-1-yl)-[5-[(3-methylphenyl)methylamino]-3-pyridinyl]methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-[5-[(3-methylphenyl)methylamino]-3-pyridinyl]methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-[5-[(3-methylphenyl)methylamino]-3-pyridinyl]methanone is CCN1CCN(C(=O)c2cncc(NCc3cccc(C)c3)c2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-[5-[(3-methylphenyl)methylamino]-3-pyridinyl]methanone?
The InChIKey is KRPNRVCHRSTPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-3-23-7-9-24(10-8-23)20(25)18-12-19(15-21-14-18)22-13-17-6-4-5-16(2)11-17/h4-6,11-12,14-15,22H,3,7-10,13H2,1-2H3.
What are the key properties of (4-ethylpiperazin-1-yl)-[5-[(3-methylphenyl)methylamino]-3-pyridinyl]methanone?
(4-ethylpiperazin-1-yl)-[5-[(3-methylphenyl)methylamino]-3-pyridinyl]methanone has a molecular weight of 338.46 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-[5-[(3-methylphenyl)methylamino]-3-pyridinyl]methanone is sourced from PubChem (CID 109230416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).