3-chloro-2-(4-ethyl-N-methylanilino)pyridine-4-carboximidamide

C15H17ClN4 — CID 107060226

IUPAC3-chloro-2-(4-ethyl-N-methylanilino)pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(N(C)c2ccc(CC)cc2)c1Cl
InChIInChI=1S/C15H17ClN4/c1-3-10-4-6-11(7-5-10)20(2)15-13(16)12(14(17)18)8-9-19-15/h4-9H,3H2,1-2H3,(H3,17,18)
InChIKeySXQSZWMXBUNADR-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.35
Rot. Bonds4

About 3-chloro-2-(4-ethyl-N-methylanilino)pyridine-4-carboximidamide

3-chloro-2-(4-ethyl-N-methylanilino)pyridine-4-carboximidamide (PubChem CID 107060226) has the molecular formula C15H17ClN4 and a molecular weight of 288.78 g/mol. Its IUPAC name is 3-chloro-2-(4-ethyl-N-methylanilino)pyridine-4-carboximidamide.

Molecular Properties

Compound Name3-chloro-2-(4-ethyl-N-methylanilino)pyridine-4-carboximidamide
PubChem CID107060226
Molecular FormulaC15H17ClN4
Molecular Weight288.78 g/mol
Exact Mass288.11
IUPAC Name3-chloro-2-(4-ethyl-N-methylanilino)pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(N(C)c2ccc(CC)cc2)c1Cl
InChIInChI=1S/C15H17ClN4/c1-3-10-4-6-11(7-5-10)20(2)15-13(16)12(14(17)18)8-9-19-15/h4-9H,3H2,1-2H3,(H3,17,18)
InChIKeySXQSZWMXBUNADR-UHFFFAOYSA-N
XLogP3.35
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.35
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'}

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Related Compounds

2-[bis(2-ethoxyethyl)amino]-3-chloropyridine-4-carboximidamide
CID 107060364
3-chloro-2-[cyclobutyl(methyl)amino]pyridine-4-carboximidamide
CID 107060380
3-chloro-2-[ethyl(2-methylpropyl)amino]pyridine-4-carboximidamide
CID 107060104
3-chloro-2-octoxypyridine-4-carboximidamide
CID 107060534
3-chloro-2-[2-[cyclopropyl(methyl)amino]ethoxy]pyridine-4-carboximidamide
CID 102740205
3-chloro-2-phenylmethoxypyridine-4-carboximidamide
CID 107060468
3-chloro-2-(N-methylanilino)pyridine-4-carboxylic acid
CID 107062181
3-chloro-2-[cyclobutyl(3-hydroxypropyl)amino]pyridine-4-carboximidamide
CID 107060400
4-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-methylamino]benzenecarboximidamide
CID 136971709
3-chloro-2-(4-methylpentoxy)pyridine-4-carboximidamide
CID 107060531
3-chloro-2-(3-methylbutan-2-yloxy)pyridine-4-carboximidamide
CID 107060633
3,6-dichloro-N-(4-ethylphenyl)-N-methyl-1,2,4-triazin-5-amine
CID 81038178

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(4-ethyl-N-methylanilino)pyridine-4-carboximidamide?
The IUPAC name of 3-chloro-2-(4-ethyl-N-methylanilino)pyridine-4-carboximidamide (CID 107060226) is 3-chloro-2-(4-ethyl-N-methylanilino)pyridine-4-carboximidamide.
What is the SMILES notation for 3-chloro-2-(4-ethyl-N-methylanilino)pyridine-4-carboximidamide?
The canonical SMILES for 3-chloro-2-(4-ethyl-N-methylanilino)pyridine-4-carboximidamide is [H]/N=C(\N)c1ccnc(N(C)c2ccc(CC)cc2)c1Cl.
What is the InChIKey of 3-chloro-2-(4-ethyl-N-methylanilino)pyridine-4-carboximidamide?
The InChIKey is SXQSZWMXBUNADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4/c1-3-10-4-6-11(7-5-10)20(2)15-13(16)12(14(17)18)8-9-19-15/h4-9H,3H2,1-2H3,(H3,17,18).
What are the key properties of 3-chloro-2-(4-ethyl-N-methylanilino)pyridine-4-carboximidamide?
3-chloro-2-(4-ethyl-N-methylanilino)pyridine-4-carboximidamide has a molecular weight of 288.78 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(4-ethyl-N-methylanilino)pyridine-4-carboximidamide is sourced from PubChem (CID 107060226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).