[2-[[1-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]amino]-2-oxoethyl]-methyloxidanium

C20H26ClN4O2+ — CID 163523529

IUPAC[2-[[1-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]amino]-2-oxoethyl]-methyloxidanium
SMILESC[OH+]CC(=O)NC1CCN(c2cc(-c3ncc(C)cc3C)c(Cl)cn2)CC1
InChIInChI=1S/C20H25ClN4O2/c1-13-8-14(2)20(23-10-13)16-9-18(22-11-17(16)21)25-6-4-15(5-7-25)24-19(26)12-27-3/h8-11,15H,4-7,12H2,1-3H3,(H,24,26)/p+1
InChIKeyDMVPZMMEBRRFJX-UHFFFAOYSA-O
MW389.91 g/mol
LogP2.66
Rot. Bonds5

About [2-[[1-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]amino]-2-oxoethyl]-methyloxidanium

[2-[[1-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]amino]-2-oxoethyl]-methyloxidanium (PubChem CID 163523529) has the molecular formula C20H26ClN4O2+ and a molecular weight of 389.91 g/mol. Its IUPAC name is [2-[[1-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]amino]-2-oxoethyl]-methyloxidanium.

Molecular Properties

Compound Name[2-[[1-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]amino]-2-oxoethyl]-methyloxidanium
PubChem CID163523529
Molecular FormulaC20H26ClN4O2+
Molecular Weight389.91 g/mol
Exact Mass389.17
IUPAC Name[2-[[1-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]amino]-2-oxoethyl]-methyloxidanium
SMILESC[OH+]CC(=O)NC1CCN(c2cc(-c3ncc(C)cc3C)c(Cl)cn2)CC1
InChIInChI=1S/C20H25ClN4O2/c1-13-8-14(2)20(23-10-13)16-9-18(22-11-17(16)21)25-6-4-15(5-7-25)24-19(26)12-27-3/h8-11,15H,4-7,12H2,1-3H3,(H,24,26)/p+1
InChIKeyDMVPZMMEBRRFJX-UHFFFAOYSA-O
XLogP2.66
TPSA70.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.91
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

Analyze [2-[[1-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]amino]-2-oxoethyl]-methyloxidanium with MolForge

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Launch Full Analysis

Related Compounds

1-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-methylpiperidin-4-amine
CID 134426993
2-[5-chloro-2-[4-(methylsulfonylmethyl)piperidin-1-yl]-4-pyridinyl]-3,5-dimethylpyridine
CID 69044585
1-[4-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-2-hydroxyethanone
CID 67508530
N-[1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]-2-(1-hydroxycyclopropyl)acetamide
CID 118075021
1-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-4-methylpiperazine
CID 134426894
1-[4-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-3-hydroxypropan-1-one
CID 67508477
1-[6-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]-N-methylpyrrolidin-3-amine
CID 77106422
1-[6-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-N-methylpyrrolidin-3-amine
CID 77105412
2-methylbutan-2-yl N-[1-[5-chloro-6-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]carbamate
CID 134426778
(3E)-1-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-3-hydrazinylidenepiperidin-4-one
CID 123136538
1-(5-chloro-4-methyl-2-pyridinyl)-N-cyclohexylpiperidine-4-carboxamide
CID 123365638
1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-(oxolan-3-yl)piperidine-4-carboxamide
CID 67508735

Frequently Asked Questions

What is the IUPAC name of [2-[[1-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]amino]-2-oxoethyl]-methyloxidanium?
The IUPAC name of [2-[[1-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]amino]-2-oxoethyl]-methyloxidanium (CID 163523529) is [2-[[1-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]amino]-2-oxoethyl]-methyloxidanium.
What is the SMILES notation for [2-[[1-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]amino]-2-oxoethyl]-methyloxidanium?
The canonical SMILES for [2-[[1-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]amino]-2-oxoethyl]-methyloxidanium is C[OH+]CC(=O)NC1CCN(c2cc(-c3ncc(C)cc3C)c(Cl)cn2)CC1.
What is the InChIKey of [2-[[1-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]amino]-2-oxoethyl]-methyloxidanium?
The InChIKey is DMVPZMMEBRRFJX-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H25ClN4O2/c1-13-8-14(2)20(23-10-13)16-9-18(22-11-17(16)21)25-6-4-15(5-7-25)24-19(26)12-27-3/h8-11,15H,4-7,12H2,1-3H3,(H,24,26)/p+1.
What are the key properties of [2-[[1-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]amino]-2-oxoethyl]-methyloxidanium?
[2-[[1-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]amino]-2-oxoethyl]-methyloxidanium has a molecular weight of 389.91 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[1-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]amino]-2-oxoethyl]-methyloxidanium is sourced from PubChem (CID 163523529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).