2-(4-fluoro-N-methylanilino)-6-methylpyridine-4-carboximidamide

C14H15FN4 — CID 114768994

IUPAC2-(4-fluoro-N-methylanilino)-6-methylpyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(N(C)c2ccc(F)cc2)c1
InChIInChI=1S/C14H15FN4/c1-9-7-10(14(16)17)8-13(18-9)19(2)12-5-3-11(15)4-6-12/h3-8H,1-2H3,(H3,16,17)
InChIKeyYOCBBOZORRRKMN-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.58
Rot. Bonds3

About 2-(4-fluoro-N-methylanilino)-6-methylpyridine-4-carboximidamide

2-(4-fluoro-N-methylanilino)-6-methylpyridine-4-carboximidamide (PubChem CID 114768994) has the molecular formula C14H15FN4 and a molecular weight of 258.30 g/mol. Its IUPAC name is 2-(4-fluoro-N-methylanilino)-6-methylpyridine-4-carboximidamide.

Molecular Properties

Compound Name2-(4-fluoro-N-methylanilino)-6-methylpyridine-4-carboximidamide
PubChem CID114768994
Molecular FormulaC14H15FN4
Molecular Weight258.30 g/mol
Exact Mass258.13
IUPAC Name2-(4-fluoro-N-methylanilino)-6-methylpyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(N(C)c2ccc(F)cc2)c1
InChIInChI=1S/C14H15FN4/c1-9-7-10(14(16)17)8-13(18-9)19(2)12-5-3-11(15)4-6-12/h3-8H,1-2H3,(H3,16,17)
InChIKeyYOCBBOZORRRKMN-UHFFFAOYSA-N
XLogP2.58
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.58
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-[ethyl(methyl)amino]-6-methylpyridine-4-carboximidamide
CID 114768868
2-methyl-6-[methyl(propan-2-yl)amino]pyridine-4-carboximidamide
CID 114768847
2-(3,5-difluorophenoxy)-6-methylpyridine-4-carboximidamide
CID 114769335
2-methyl-6-[methyl-[(4-methylphenyl)methyl]amino]pyridine-4-carboximidamide
CID 114768863
2-(dipropylamino)-6-methylpyridine-4-carboximidamide
CID 114768837
2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-6-methylpyridine-4-carboximidamide
CID 114769147
2-[cyclopropylmethyl(methyl)amino]-6-methylpyridine-4-carboximidamide
CID 114768906
2-methyl-6-[propan-2-yl(propyl)amino]pyridine-4-carboximidamide
CID 114768874
2-[ethyl(2,2,2-trifluoroethyl)amino]-6-methylpyridine-4-carboximidamide
CID 114768980
2-methyl-6-[methyl(thiophen-3-ylmethyl)amino]pyridine-4-carboximidamide
CID 114768881
4-[methyl-(2-methyl-4-pyridinyl)amino]benzenecarboximidamide
CID 113482500
2-[cyclobutyl(2-hydroxyethyl)amino]-6-methylpyridine-4-carboximidamide
CID 102863039

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-N-methylanilino)-6-methylpyridine-4-carboximidamide?
The IUPAC name of 2-(4-fluoro-N-methylanilino)-6-methylpyridine-4-carboximidamide (CID 114768994) is 2-(4-fluoro-N-methylanilino)-6-methylpyridine-4-carboximidamide.
What is the SMILES notation for 2-(4-fluoro-N-methylanilino)-6-methylpyridine-4-carboximidamide?
The canonical SMILES for 2-(4-fluoro-N-methylanilino)-6-methylpyridine-4-carboximidamide is [H]/N=C(\N)c1cc(C)nc(N(C)c2ccc(F)cc2)c1.
What is the InChIKey of 2-(4-fluoro-N-methylanilino)-6-methylpyridine-4-carboximidamide?
The InChIKey is YOCBBOZORRRKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4/c1-9-7-10(14(16)17)8-13(18-9)19(2)12-5-3-11(15)4-6-12/h3-8H,1-2H3,(H3,16,17).
What are the key properties of 2-(4-fluoro-N-methylanilino)-6-methylpyridine-4-carboximidamide?
2-(4-fluoro-N-methylanilino)-6-methylpyridine-4-carboximidamide has a molecular weight of 258.30 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-N-methylanilino)-6-methylpyridine-4-carboximidamide is sourced from PubChem (CID 114768994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).