3-chloro-2-(2,3-dimethoxypropylamino)pyridine-4-carboximidamide

C11H17ClN4O2 — CID 114100399

IUPAC3-chloro-2-(2,3-dimethoxypropylamino)pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(NCC(COC)OC)c1Cl
InChIInChI=1S/C11H17ClN4O2/c1-17-6-7(18-2)5-16-11-9(12)8(10(13)14)3-4-15-11/h3-4,7H,5-6H2,1-2H3,(H3,13,14)(H,15,16)
InChIKeyNABZZJFUVJDXOG-UHFFFAOYSA-N
MW272.74 g/mol
LogP1.09
Rot. Bonds7

About 3-chloro-2-(2,3-dimethoxypropylamino)pyridine-4-carboximidamide

3-chloro-2-(2,3-dimethoxypropylamino)pyridine-4-carboximidamide (PubChem CID 114100399) has the molecular formula C11H17ClN4O2 and a molecular weight of 272.74 g/mol. Its IUPAC name is 3-chloro-2-(2,3-dimethoxypropylamino)pyridine-4-carboximidamide.

Molecular Properties

Compound Name3-chloro-2-(2,3-dimethoxypropylamino)pyridine-4-carboximidamide
PubChem CID114100399
Molecular FormulaC11H17ClN4O2
Molecular Weight272.74 g/mol
Exact Mass272.10
IUPAC Name3-chloro-2-(2,3-dimethoxypropylamino)pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(NCC(COC)OC)c1Cl
InChIInChI=1S/C11H17ClN4O2/c1-17-6-7(18-2)5-16-11-9(12)8(10(13)14)3-4-15-11/h3-4,7H,5-6H2,1-2H3,(H3,13,14)(H,15,16)
InChIKeyNABZZJFUVJDXOG-UHFFFAOYSA-N
XLogP1.09
TPSA93.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-chloro-2-(3-methylbutan-2-yloxy)pyridine-4-carboximidamide
CID 107060633
3-chloro-2-(4-methylpentoxy)pyridine-4-carboximidamide
CID 107060531
3-chloro-2-octoxypyridine-4-carboximidamide
CID 107060534
5-chloro-N-(2,3-dimethoxypropyl)pyrimidin-4-amine
CID 102975966
2-[bis(2-ethoxyethyl)amino]-3-chloropyridine-4-carboximidamide
CID 107060364
3-chloro-2-[2-(hydroxymethyl)phenoxy]pyridine-4-carboximidamide
CID 107060606
3-chloro-2-[2-[cyclopropyl(methyl)amino]ethoxy]pyridine-4-carboximidamide
CID 102740205
3-chloro-2-(2-methoxyphenyl)sulfanylpyridine-4-carboximidamide
CID 107060943
2-(2-methoxypropylamino)-6-methylpyridine-3-carboximidamide
CID 102698441
3-chloro-2-[(2-hydroxy-3-methoxypropyl)amino]pyridine-4-carbonitrile
CID 107057828
5-chloro-N-(2,3-dimethoxypropyl)-2-methoxypyrimidin-4-amine
CID 113368832
3-chloro-2-[ethyl(2-methylpropyl)amino]pyridine-4-carboximidamide
CID 107060104

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(2,3-dimethoxypropylamino)pyridine-4-carboximidamide?
The IUPAC name of 3-chloro-2-(2,3-dimethoxypropylamino)pyridine-4-carboximidamide (CID 114100399) is 3-chloro-2-(2,3-dimethoxypropylamino)pyridine-4-carboximidamide.
What is the SMILES notation for 3-chloro-2-(2,3-dimethoxypropylamino)pyridine-4-carboximidamide?
The canonical SMILES for 3-chloro-2-(2,3-dimethoxypropylamino)pyridine-4-carboximidamide is [H]/N=C(\N)c1ccnc(NCC(COC)OC)c1Cl.
What is the InChIKey of 3-chloro-2-(2,3-dimethoxypropylamino)pyridine-4-carboximidamide?
The InChIKey is NABZZJFUVJDXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O2/c1-17-6-7(18-2)5-16-11-9(12)8(10(13)14)3-4-15-11/h3-4,7H,5-6H2,1-2H3,(H3,13,14)(H,15,16).
What are the key properties of 3-chloro-2-(2,3-dimethoxypropylamino)pyridine-4-carboximidamide?
3-chloro-2-(2,3-dimethoxypropylamino)pyridine-4-carboximidamide has a molecular weight of 272.74 g/mol, XLogP of 1.09, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(2,3-dimethoxypropylamino)pyridine-4-carboximidamide is sourced from PubChem (CID 114100399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).