(3-ethyl-4-methylpiperazin-1-yl)-[5-(methylamino)-2-pyridinyl]methanone

C14H22N4O — CID 104641352

IUPAC(3-ethyl-4-methylpiperazin-1-yl)-[5-(methylamino)-2-pyridinyl]methanone
SMILESCCC1CN(C(=O)c2ccc(NC)cn2)CCN1C
InChIInChI=1S/C14H22N4O/c1-4-12-10-18(8-7-17(12)3)14(19)13-6-5-11(15-2)9-16-13/h5-6,9,12,15H,4,7-8,10H2,1-3H3
InChIKeyDPFDXZLHPDQLLP-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.29
Rot. Bonds3

About (3-ethyl-4-methylpiperazin-1-yl)-[5-(methylamino)-2-pyridinyl]methanone

(3-ethyl-4-methylpiperazin-1-yl)-[5-(methylamino)-2-pyridinyl]methanone (PubChem CID 104641352) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is (3-ethyl-4-methylpiperazin-1-yl)-[5-(methylamino)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(3-ethyl-4-methylpiperazin-1-yl)-[5-(methylamino)-2-pyridinyl]methanone
PubChem CID104641352
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name(3-ethyl-4-methylpiperazin-1-yl)-[5-(methylamino)-2-pyridinyl]methanone
SMILESCCC1CN(C(=O)c2ccc(NC)cn2)CCN1C
InChIInChI=1S/C14H22N4O/c1-4-12-10-18(8-7-17(12)3)14(19)13-6-5-11(15-2)9-16-13/h5-6,9,12,15H,4,7-8,10H2,1-3H3
InChIKeyDPFDXZLHPDQLLP-UHFFFAOYSA-N
XLogP1.29
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-ethyl-4-methylpiperazin-1-yl)-[5-(methylamino)-2-pyridinyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(hydroxymethyl)morpholin-4-yl]-[5-(methylamino)-2-pyridinyl]methanone
CID 113436230
[4-(cyclopropylmethyl)piperazin-1-yl]-[5-(methylamino)-2-pyridinyl]methanone
CID 104641069
[3-(dimethylamino)piperidin-1-yl]-[5-(methylamino)-2-pyridinyl]methanone
CID 104641657
[5-(methylamino)-2-pyridinyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 104641627
[4-(dimethylamino)piperidin-1-yl]-[5-(methylamino)-2-pyridinyl]methanone
CID 104640276
4-[5-(methylamino)pyridine-2-carbonyl]morpholine-2-carbonitrile
CID 104641747
[5-(methylamino)-2-pyridinyl]-(4-methylazepan-1-yl)methanone
CID 113436179
[3,5-difluoro-4-(methylamino)phenyl]-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 63603059
(2-methylmorpholin-4-yl)-[5-(propylamino)-2-pyridinyl]methanone
CID 104639909
[5-(ethylamino)-2-pyridinyl]-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 104641208
(4-aminophenyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 63603575
3-azaspiro[5.5]undecan-3-yl-[5-(methylamino)-2-pyridinyl]methanone
CID 104641203

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-4-methylpiperazin-1-yl)-[5-(methylamino)-2-pyridinyl]methanone?
The IUPAC name of (3-ethyl-4-methylpiperazin-1-yl)-[5-(methylamino)-2-pyridinyl]methanone (CID 104641352) is (3-ethyl-4-methylpiperazin-1-yl)-[5-(methylamino)-2-pyridinyl]methanone.
What is the SMILES notation for (3-ethyl-4-methylpiperazin-1-yl)-[5-(methylamino)-2-pyridinyl]methanone?
The canonical SMILES for (3-ethyl-4-methylpiperazin-1-yl)-[5-(methylamino)-2-pyridinyl]methanone is CCC1CN(C(=O)c2ccc(NC)cn2)CCN1C.
What is the InChIKey of (3-ethyl-4-methylpiperazin-1-yl)-[5-(methylamino)-2-pyridinyl]methanone?
The InChIKey is DPFDXZLHPDQLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-4-12-10-18(8-7-17(12)3)14(19)13-6-5-11(15-2)9-16-13/h5-6,9,12,15H,4,7-8,10H2,1-3H3.
What are the key properties of (3-ethyl-4-methylpiperazin-1-yl)-[5-(methylamino)-2-pyridinyl]methanone?
(3-ethyl-4-methylpiperazin-1-yl)-[5-(methylamino)-2-pyridinyl]methanone has a molecular weight of 262.36 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-4-methylpiperazin-1-yl)-[5-(methylamino)-2-pyridinyl]methanone is sourced from PubChem (CID 104641352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).