3-chloro-4-(2-pyridin-3-ylethoxy)benzenecarboximidamide

C14H14ClN3O — CID 63262641

IUPAC3-chloro-4-(2-pyridin-3-ylethoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCc2cccnc2)c(Cl)c1
InChIInChI=1S/C14H14ClN3O/c15-12-8-11(14(16)17)3-4-13(12)19-7-5-10-2-1-6-18-9-10/h1-4,6,8-9H,5,7H2,(H3,16,17)
InChIKeySLDNLZLSCRLCRS-UHFFFAOYSA-N
MW275.74 g/mol
LogP2.64
Rot. Bonds5

About 3-chloro-4-(2-pyridin-3-ylethoxy)benzenecarboximidamide

3-chloro-4-(2-pyridin-3-ylethoxy)benzenecarboximidamide (PubChem CID 63262641) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 3-chloro-4-(2-pyridin-3-ylethoxy)benzenecarboximidamide.

Molecular Properties

Compound Name3-chloro-4-(2-pyridin-3-ylethoxy)benzenecarboximidamide
PubChem CID63262641
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name3-chloro-4-(2-pyridin-3-ylethoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCc2cccnc2)c(Cl)c1
InChIInChI=1S/C14H14ClN3O/c15-12-8-11(14(16)17)3-4-13(12)19-7-5-10-2-1-6-18-9-10/h1-4,6,8-9H,5,7H2,(H3,16,17)
InChIKeySLDNLZLSCRLCRS-UHFFFAOYSA-N
XLogP2.64
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-chloro-4-(2-pyridin-3-ylethoxy)benzenecarboximidamide with MolForge

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

Launch Full Analysis

Related Compounds

3-chloro-4-(2-pyridin-3-ylethoxy)benzoic acid
CID 63264927
3-fluoro-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 82253424
3-chloro-4-(3-methylbutoxy)benzenecarboximidamide
CID 61388930
3-chloro-4-[(3-methoxyphenyl)methoxy]benzenecarboximidamide
CID 61388847
4-(pyridin-3-ylmethoxy)benzenecarboximidamide;dihydrochloride
CID 47002329
3-chloro-4-[3-(2-methoxyethoxy)propoxy]benzenecarboximidamide
CID 103402785
3-chloro-4-(3-ethylsulfonylpropoxy)benzenecarboximidamide
CID 65093024
4-chloro-2-(2-pyridin-3-ylethoxy)aniline
CID 63264708
2-chloro-3-(2-pyridin-3-ylethoxy)pyridine
CID 65102137
3-chloro-N'-hydroxy-4-(2-phenylethoxy)benzenecarboximidamide
CID 76899298
3-chloro-4-(3-pyridin-4-ylpropoxy)benzenecarbothioamide
CID 63087479
5-chloro-2-(2-pyridin-3-ylethoxy)benzaldehyde
CID 63262865

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2-pyridin-3-ylethoxy)benzenecarboximidamide?
The IUPAC name of 3-chloro-4-(2-pyridin-3-ylethoxy)benzenecarboximidamide (CID 63262641) is 3-chloro-4-(2-pyridin-3-ylethoxy)benzenecarboximidamide.
What is the SMILES notation for 3-chloro-4-(2-pyridin-3-ylethoxy)benzenecarboximidamide?
The canonical SMILES for 3-chloro-4-(2-pyridin-3-ylethoxy)benzenecarboximidamide is [H]/N=C(\N)c1ccc(OCCc2cccnc2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(2-pyridin-3-ylethoxy)benzenecarboximidamide?
The InChIKey is SLDNLZLSCRLCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c15-12-8-11(14(16)17)3-4-13(12)19-7-5-10-2-1-6-18-9-10/h1-4,6,8-9H,5,7H2,(H3,16,17).
What are the key properties of 3-chloro-4-(2-pyridin-3-ylethoxy)benzenecarboximidamide?
3-chloro-4-(2-pyridin-3-ylethoxy)benzenecarboximidamide has a molecular weight of 275.74 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2-pyridin-3-ylethoxy)benzenecarboximidamide is sourced from PubChem (CID 63262641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).