2-[bis(2-ethoxyethyl)amino]-3-chloropyridine-4-carboximidamide

C14H23ClN4O2 — CID 107060364

IUPAC2-[bis(2-ethoxyethyl)amino]-3-chloropyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(N(CCOCC)CCOCC)c1Cl
InChIInChI=1S/C14H23ClN4O2/c1-3-20-9-7-19(8-10-21-4-2)14-12(15)11(13(16)17)5-6-18-14/h5-6H,3-4,7-10H2,1-2H3,(H3,16,17)
InChIKeyFPNXLVQWDIFRIA-UHFFFAOYSA-N
MW314.82 g/mol
LogP1.90
Rot. Bonds10

About 2-[bis(2-ethoxyethyl)amino]-3-chloropyridine-4-carboximidamide

2-[bis(2-ethoxyethyl)amino]-3-chloropyridine-4-carboximidamide (PubChem CID 107060364) has the molecular formula C14H23ClN4O2 and a molecular weight of 314.82 g/mol. Its IUPAC name is 2-[bis(2-ethoxyethyl)amino]-3-chloropyridine-4-carboximidamide.

Molecular Properties

Compound Name2-[bis(2-ethoxyethyl)amino]-3-chloropyridine-4-carboximidamide
PubChem CID107060364
Molecular FormulaC14H23ClN4O2
Molecular Weight314.82 g/mol
Exact Mass314.15
IUPAC Name2-[bis(2-ethoxyethyl)amino]-3-chloropyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(N(CCOCC)CCOCC)c1Cl
InChIInChI=1S/C14H23ClN4O2/c1-3-20-9-7-19(8-10-21-4-2)14-12(15)11(13(16)17)5-6-18-14/h5-6H,3-4,7-10H2,1-2H3,(H3,16,17)
InChIKeyFPNXLVQWDIFRIA-UHFFFAOYSA-N
XLogP1.90
TPSA84.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-ethoxyethyl(ethyl)amino]pyridine-3-carboximidamide
CID 55227687
3-chloro-2-[ethyl(2-methylpropyl)amino]pyridine-4-carboximidamide
CID 107060104
3-[2-ethoxyethyl(ethyl)amino]pyrazine-2-carboximidamide
CID 55227879
3-chloro-2-(4-ethyl-N-methylanilino)pyridine-4-carboximidamide
CID 107060226
3-[2-ethoxyethyl(methyl)amino]pyridazine-4-carboximidamide
CID 81056507
2-[bis(2-ethoxyethyl)amino]-4-chlorobenzenecarboximidamide
CID 82939011
3-chloro-2-octoxypyridine-4-carboximidamide
CID 107060534
3-chloro-2-[cyclobutyl(methyl)amino]pyridine-4-carboximidamide
CID 107060380
3-chloro-2-[2-[cyclopropyl(methyl)amino]ethoxy]pyridine-4-carboximidamide
CID 102740205
3-chloro-2-[cyclobutyl(3-hydroxypropyl)amino]pyridine-4-carboximidamide
CID 107060400
3-chloro-2-(4-methylpentoxy)pyridine-4-carboximidamide
CID 107060531
[2-[bis(2-ethoxyethyl)amino]-3-pyridinyl]methanol
CID 82960882

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-ethoxyethyl)amino]-3-chloropyridine-4-carboximidamide?
The IUPAC name of 2-[bis(2-ethoxyethyl)amino]-3-chloropyridine-4-carboximidamide (CID 107060364) is 2-[bis(2-ethoxyethyl)amino]-3-chloropyridine-4-carboximidamide.
What is the SMILES notation for 2-[bis(2-ethoxyethyl)amino]-3-chloropyridine-4-carboximidamide?
The canonical SMILES for 2-[bis(2-ethoxyethyl)amino]-3-chloropyridine-4-carboximidamide is [H]/N=C(\N)c1ccnc(N(CCOCC)CCOCC)c1Cl.
What is the InChIKey of 2-[bis(2-ethoxyethyl)amino]-3-chloropyridine-4-carboximidamide?
The InChIKey is FPNXLVQWDIFRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN4O2/c1-3-20-9-7-19(8-10-21-4-2)14-12(15)11(13(16)17)5-6-18-14/h5-6H,3-4,7-10H2,1-2H3,(H3,16,17).
What are the key properties of 2-[bis(2-ethoxyethyl)amino]-3-chloropyridine-4-carboximidamide?
2-[bis(2-ethoxyethyl)amino]-3-chloropyridine-4-carboximidamide has a molecular weight of 314.82 g/mol, XLogP of 1.90, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-ethoxyethyl)amino]-3-chloropyridine-4-carboximidamide is sourced from PubChem (CID 107060364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).