[2-amino-5-chloro-4-(oxan-2-yloxymethyl)-3-pyridinyl]methyl N,N-dimethylcarbamate

C15H22ClN3O4 — CID 67077544

IUPAC[2-amino-5-chloro-4-(oxan-2-yloxymethyl)-3-pyridinyl]methyl N,N-dimethylcarbamate
SMILESCN(C)C(=O)OCc1c(N)ncc(Cl)c1COC1CCCCO1
InChIInChI=1S/C15H22ClN3O4/c1-19(2)15(20)23-9-11-10(12(16)7-18-14(11)17)8-22-13-5-3-4-6-21-13/h7,13H,3-6,8-9H2,1-2H3,(H2,17,18)
InChIKeyKITSHMUNMCACOM-UHFFFAOYSA-N
MW343.81 g/mol
LogP2.56
Rot. Bonds5

About [2-amino-5-chloro-4-(oxan-2-yloxymethyl)-3-pyridinyl]methyl N,N-dimethylcarbamate

[2-amino-5-chloro-4-(oxan-2-yloxymethyl)-3-pyridinyl]methyl N,N-dimethylcarbamate (PubChem CID 67077544) has the molecular formula C15H22ClN3O4 and a molecular weight of 343.81 g/mol. Its IUPAC name is [2-amino-5-chloro-4-(oxan-2-yloxymethyl)-3-pyridinyl]methyl N,N-dimethylcarbamate.

Molecular Properties

Compound Name[2-amino-5-chloro-4-(oxan-2-yloxymethyl)-3-pyridinyl]methyl N,N-dimethylcarbamate
PubChem CID67077544
Molecular FormulaC15H22ClN3O4
Molecular Weight343.81 g/mol
Exact Mass343.13
IUPAC Name[2-amino-5-chloro-4-(oxan-2-yloxymethyl)-3-pyridinyl]methyl N,N-dimethylcarbamate
SMILESCN(C)C(=O)OCc1c(N)ncc(Cl)c1COC1CCCCO1
InChIInChI=1S/C15H22ClN3O4/c1-19(2)15(20)23-9-11-10(12(16)7-18-14(11)17)8-22-13-5-3-4-6-21-13/h7,13H,3-6,8-9H2,1-2H3,(H2,17,18)
InChIKeyKITSHMUNMCACOM-UHFFFAOYSA-N
XLogP2.56
TPSA86.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-amino-5-chloro-4-(oxan-2-yloxymethyl)-3-pyridinyl]methyl N,N-dimethylcarbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-amino-5-chloro-4-(oxan-2-yloxymethyl)-3-pyridinyl]methyl N,N-dimethylcarbamate?
The IUPAC name of [2-amino-5-chloro-4-(oxan-2-yloxymethyl)-3-pyridinyl]methyl N,N-dimethylcarbamate (CID 67077544) is [2-amino-5-chloro-4-(oxan-2-yloxymethyl)-3-pyridinyl]methyl N,N-dimethylcarbamate.
What is the SMILES notation for [2-amino-5-chloro-4-(oxan-2-yloxymethyl)-3-pyridinyl]methyl N,N-dimethylcarbamate?
The canonical SMILES for [2-amino-5-chloro-4-(oxan-2-yloxymethyl)-3-pyridinyl]methyl N,N-dimethylcarbamate is CN(C)C(=O)OCc1c(N)ncc(Cl)c1COC1CCCCO1.
What is the InChIKey of [2-amino-5-chloro-4-(oxan-2-yloxymethyl)-3-pyridinyl]methyl N,N-dimethylcarbamate?
The InChIKey is KITSHMUNMCACOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O4/c1-19(2)15(20)23-9-11-10(12(16)7-18-14(11)17)8-22-13-5-3-4-6-21-13/h7,13H,3-6,8-9H2,1-2H3,(H2,17,18).
What are the key properties of [2-amino-5-chloro-4-(oxan-2-yloxymethyl)-3-pyridinyl]methyl N,N-dimethylcarbamate?
[2-amino-5-chloro-4-(oxan-2-yloxymethyl)-3-pyridinyl]methyl N,N-dimethylcarbamate has a molecular weight of 343.81 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-5-chloro-4-(oxan-2-yloxymethyl)-3-pyridinyl]methyl N,N-dimethylcarbamate is sourced from PubChem (CID 67077544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).