[3-(methylamino)-4-pyridinyl]-(3,4,5-trimethylpiperazin-1-yl)methanone

C14H22N4O — CID 105071443

IUPAC[3-(methylamino)-4-pyridinyl]-(3,4,5-trimethylpiperazin-1-yl)methanone
SMILESCNc1cnccc1C(=O)N1CC(C)N(C)C(C)C1
InChIInChI=1S/C14H22N4O/c1-10-8-18(9-11(2)17(10)4)14(19)12-5-6-16-7-13(12)15-3/h5-7,10-11,15H,8-9H2,1-4H3
InChIKeyOQGTWTWZRRBIEZ-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.29
Rot. Bonds2

About [3-(methylamino)-4-pyridinyl]-(3,4,5-trimethylpiperazin-1-yl)methanone

[3-(methylamino)-4-pyridinyl]-(3,4,5-trimethylpiperazin-1-yl)methanone (PubChem CID 105071443) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is [3-(methylamino)-4-pyridinyl]-(3,4,5-trimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-(methylamino)-4-pyridinyl]-(3,4,5-trimethylpiperazin-1-yl)methanone
PubChem CID105071443
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name[3-(methylamino)-4-pyridinyl]-(3,4,5-trimethylpiperazin-1-yl)methanone
SMILESCNc1cnccc1C(=O)N1CC(C)N(C)C(C)C1
InChIInChI=1S/C14H22N4O/c1-10-8-18(9-11(2)17(10)4)14(19)12-5-6-16-7-13(12)15-3/h5-7,10-11,15H,8-9H2,1-4H3
InChIKeyOQGTWTWZRRBIEZ-UHFFFAOYSA-N
XLogP1.29
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
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-(methylamino)-4-pyridinyl]-(3,4,5-trimethylpiperazin-1-yl)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-ethyl-5-methylpyrrolidin-1-yl)-[3-(methylamino)-4-pyridinyl]methanone
CID 105071029
(3,4-dihydroxypyrrolidin-1-yl)-(3-hydrazinyl-4-pyridinyl)methanone
CID 106673919
(4-ethoxypiperidin-1-yl)-[3-(methylamino)-4-pyridinyl]methanone
CID 105068895
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[3-(ethylamino)-4-pyridinyl]methanone
CID 105071465
(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-[3-(methylamino)-4-pyridinyl]methanone
CID 105070810
(3-amino-4-pyridinyl)-(3,4-dimethylpiperazin-1-yl)methanone
CID 105070123
[5-bromo-2-(methylamino)-3-pyridinyl]-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 114540406
N-cyclopropyl-3-(methylamino)pyridine-4-carboxamide
CID 105068162
N-(dicyclopropylmethyl)-3-(methylamino)pyridine-4-carboxamide
CID 105069656
(2-ethylpyrrolidin-1-yl)-[3-(methylamino)-4-pyridinyl]methanone
CID 105067784
(3-hydrazinyl-4-pyridinyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 105072540
[3-chloro-6-(methylamino)-2-pyridinyl]-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 114540409

Frequently Asked Questions

What is the IUPAC name of [3-(methylamino)-4-pyridinyl]-(3,4,5-trimethylpiperazin-1-yl)methanone?
The IUPAC name of [3-(methylamino)-4-pyridinyl]-(3,4,5-trimethylpiperazin-1-yl)methanone (CID 105071443) is [3-(methylamino)-4-pyridinyl]-(3,4,5-trimethylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-(methylamino)-4-pyridinyl]-(3,4,5-trimethylpiperazin-1-yl)methanone?
The canonical SMILES for [3-(methylamino)-4-pyridinyl]-(3,4,5-trimethylpiperazin-1-yl)methanone is CNc1cnccc1C(=O)N1CC(C)N(C)C(C)C1.
What is the InChIKey of [3-(methylamino)-4-pyridinyl]-(3,4,5-trimethylpiperazin-1-yl)methanone?
The InChIKey is OQGTWTWZRRBIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-10-8-18(9-11(2)17(10)4)14(19)12-5-6-16-7-13(12)15-3/h5-7,10-11,15H,8-9H2,1-4H3.
What are the key properties of [3-(methylamino)-4-pyridinyl]-(3,4,5-trimethylpiperazin-1-yl)methanone?
[3-(methylamino)-4-pyridinyl]-(3,4,5-trimethylpiperazin-1-yl)methanone has a molecular weight of 262.36 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylamino)-4-pyridinyl]-(3,4,5-trimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 105071443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).