4-[ethyl(pyridin-2-ylmethyl)amino]-3,5-difluorobenzenecarboximidamide

C15H16F2N4 — CID 81285682

IUPAC4-[ethyl(pyridin-2-ylmethyl)amino]-3,5-difluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)c(N(CC)Cc2ccccn2)c(F)c1
InChIInChI=1S/C15H16F2N4/c1-2-21(9-11-5-3-4-6-20-11)14-12(16)7-10(15(18)19)8-13(14)17/h3-8H,2,9H2,1H3,(H3,18,19)
InChIKeyDFLRNYUAPCUDSI-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.67
Rot. Bonds5

About 4-[ethyl(pyridin-2-ylmethyl)amino]-3,5-difluorobenzenecarboximidamide

4-[ethyl(pyridin-2-ylmethyl)amino]-3,5-difluorobenzenecarboximidamide (PubChem CID 81285682) has the molecular formula C15H16F2N4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 4-[ethyl(pyridin-2-ylmethyl)amino]-3,5-difluorobenzenecarboximidamide.

Molecular Properties

Compound Name4-[ethyl(pyridin-2-ylmethyl)amino]-3,5-difluorobenzenecarboximidamide
PubChem CID81285682
Molecular FormulaC15H16F2N4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name4-[ethyl(pyridin-2-ylmethyl)amino]-3,5-difluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)c(N(CC)Cc2ccccn2)c(F)c1
InChIInChI=1S/C15H16F2N4/c1-2-21(9-11-5-3-4-6-20-11)14-12(16)7-10(15(18)19)8-13(14)17/h3-8H,2,9H2,1H3,(H3,18,19)
InChIKeyDFLRNYUAPCUDSI-UHFFFAOYSA-N
XLogP2.67
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.67
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

4-[benzyl(ethyl)amino]-3,5-difluorobenzenecarboximidamide
CID 81285393
4-(diethylamino)-3,5-difluorobenzenecarboximidamide
CID 81293229
2-bromo-4-[ethyl(pyridin-2-ylmethyl)amino]-3-fluorobenzenecarboximidamide
CID 107536550
3,5-difluoro-4-(2-pyridin-2-ylethoxy)benzenecarboximidamide
CID 81293475
4-[ethyl(methyl)amino]-3,5-difluorobenzenecarboximidamide
CID 81293235
4-[cyclobutylmethyl(ethyl)amino]-3,5-difluorobenzenecarboximidamide
CID 107399003
3-methoxy-5-(pyridin-2-ylmethoxy)benzenecarboximidamide
CID 103567774
1-N-ethyl-4-fluoro-5-methyl-1-N-(pyridin-2-ylmethyl)benzene-1,2-diamine
CID 103590580
3-fluoro-4-(2-pyridin-2-ylethoxymethyl)benzenecarboximidamide
CID 29006279
4-chloro-2-[methyl(pyridin-2-ylmethyl)amino]benzenecarboximidamide
CID 55179840
3-[methyl(pyridin-2-ylmethyl)amino]pyrazine-2-carboximidamide
CID 62684211
3,5-difluoro-4-(3-fluoro-N-methylanilino)benzenecarboximidamide
CID 81293537

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(pyridin-2-ylmethyl)amino]-3,5-difluorobenzenecarboximidamide?
The IUPAC name of 4-[ethyl(pyridin-2-ylmethyl)amino]-3,5-difluorobenzenecarboximidamide (CID 81285682) is 4-[ethyl(pyridin-2-ylmethyl)amino]-3,5-difluorobenzenecarboximidamide.
What is the SMILES notation for 4-[ethyl(pyridin-2-ylmethyl)amino]-3,5-difluorobenzenecarboximidamide?
The canonical SMILES for 4-[ethyl(pyridin-2-ylmethyl)amino]-3,5-difluorobenzenecarboximidamide is [H]/N=C(\N)c1cc(F)c(N(CC)Cc2ccccn2)c(F)c1.
What is the InChIKey of 4-[ethyl(pyridin-2-ylmethyl)amino]-3,5-difluorobenzenecarboximidamide?
The InChIKey is DFLRNYUAPCUDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N4/c1-2-21(9-11-5-3-4-6-20-11)14-12(16)7-10(15(18)19)8-13(14)17/h3-8H,2,9H2,1H3,(H3,18,19).
What are the key properties of 4-[ethyl(pyridin-2-ylmethyl)amino]-3,5-difluorobenzenecarboximidamide?
4-[ethyl(pyridin-2-ylmethyl)amino]-3,5-difluorobenzenecarboximidamide has a molecular weight of 290.32 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(pyridin-2-ylmethyl)amino]-3,5-difluorobenzenecarboximidamide is sourced from PubChem (CID 81285682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).