3-chloro-2-[2-[cyclopropyl(methyl)amino]ethoxy]pyridine-4-carboximidamide

C12H17ClN4O — CID 102740205

IUPAC3-chloro-2-[2-[cyclopropyl(methyl)amino]ethoxy]pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(OCCN(C)C2CC2)c1Cl
InChIInChI=1S/C12H17ClN4O/c1-17(8-2-3-8)6-7-18-12-10(13)9(11(14)15)4-5-16-12/h4-5,8H,2-3,6-7H2,1H3,(H3,14,15)
InChIKeyUMEDJPYPBHDNHP-UHFFFAOYSA-N
MW268.75 g/mol
LogP1.49
Rot. Bonds6

About 3-chloro-2-[2-[cyclopropyl(methyl)amino]ethoxy]pyridine-4-carboximidamide

3-chloro-2-[2-[cyclopropyl(methyl)amino]ethoxy]pyridine-4-carboximidamide (PubChem CID 102740205) has the molecular formula C12H17ClN4O and a molecular weight of 268.75 g/mol. Its IUPAC name is 3-chloro-2-[2-[cyclopropyl(methyl)amino]ethoxy]pyridine-4-carboximidamide.

Molecular Properties

Compound Name3-chloro-2-[2-[cyclopropyl(methyl)amino]ethoxy]pyridine-4-carboximidamide
PubChem CID102740205
Molecular FormulaC12H17ClN4O
Molecular Weight268.75 g/mol
Exact Mass268.11
IUPAC Name3-chloro-2-[2-[cyclopropyl(methyl)amino]ethoxy]pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(OCCN(C)C2CC2)c1Cl
InChIInChI=1S/C12H17ClN4O/c1-17(8-2-3-8)6-7-18-12-10(13)9(11(14)15)4-5-16-12/h4-5,8H,2-3,6-7H2,1H3,(H3,14,15)
InChIKeyUMEDJPYPBHDNHP-UHFFFAOYSA-N
XLogP1.49
TPSA75.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-octoxypyridine-4-carboximidamide
CID 107060534
3-chloro-2-(4-methylpentoxy)pyridine-4-carboximidamide
CID 107060531
3-chloro-2-[cyclobutyl(methyl)amino]pyridine-4-carboximidamide
CID 107060380
3-chloro-2-phenylmethoxypyridine-4-carboximidamide
CID 107060468
3-chloro-2-(3-methylbutan-2-yloxy)pyridine-4-carboximidamide
CID 107060633
2-[bis(2-ethoxyethyl)amino]-3-chloropyridine-4-carboximidamide
CID 107060364
4-[2-[cyclopropyl(methyl)amino]ethoxy]-3,5-difluorobenzenecarboximidamide
CID 102740176
3-chloro-2-[2-(hydroxymethyl)phenoxy]pyridine-4-carboximidamide
CID 107060606
3-chloro-2-[cyclobutyl(3-hydroxypropyl)amino]pyridine-4-carboximidamide
CID 107060400
4-[2-[cyclopropyl(methyl)amino]ethoxy]-3-fluorobenzenecarboximidamide
CID 102740175
N-[2-(3,6-dichloropyridazin-4-yl)oxyethyl]-N-methylcyclopropanamine
CID 102740004
2-[3-(dimethylamino)propoxy]pyridine-3-carboximidamide;hydrochloride
CID 82253262

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[2-[cyclopropyl(methyl)amino]ethoxy]pyridine-4-carboximidamide?
The IUPAC name of 3-chloro-2-[2-[cyclopropyl(methyl)amino]ethoxy]pyridine-4-carboximidamide (CID 102740205) is 3-chloro-2-[2-[cyclopropyl(methyl)amino]ethoxy]pyridine-4-carboximidamide.
What is the SMILES notation for 3-chloro-2-[2-[cyclopropyl(methyl)amino]ethoxy]pyridine-4-carboximidamide?
The canonical SMILES for 3-chloro-2-[2-[cyclopropyl(methyl)amino]ethoxy]pyridine-4-carboximidamide is [H]/N=C(\N)c1ccnc(OCCN(C)C2CC2)c1Cl.
What is the InChIKey of 3-chloro-2-[2-[cyclopropyl(methyl)amino]ethoxy]pyridine-4-carboximidamide?
The InChIKey is UMEDJPYPBHDNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O/c1-17(8-2-3-8)6-7-18-12-10(13)9(11(14)15)4-5-16-12/h4-5,8H,2-3,6-7H2,1H3,(H3,14,15).
What are the key properties of 3-chloro-2-[2-[cyclopropyl(methyl)amino]ethoxy]pyridine-4-carboximidamide?
3-chloro-2-[2-[cyclopropyl(methyl)amino]ethoxy]pyridine-4-carboximidamide has a molecular weight of 268.75 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[2-[cyclopropyl(methyl)amino]ethoxy]pyridine-4-carboximidamide is sourced from PubChem (CID 102740205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).