4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-(methylamino)benzenecarboximidamide

C20H19FN4 — CID 123139933

IUPAC4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-(methylamino)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2cccnc2-c2ccc(F)c(C)c2)cc1NC
InChIInChI=1S/C20H19FN4/c1-12-10-14(6-8-17(12)21)19-15(4-3-9-25-19)13-5-7-16(20(22)23)18(11-13)24-2/h3-11,24H,1-2H3,(H3,22,23)
InChIKeyWYCRVRJBAIWNKJ-UHFFFAOYSA-N
MW334.40 g/mol
LogP4.19
Rot. Bonds4

About 4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-(methylamino)benzenecarboximidamide

4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-(methylamino)benzenecarboximidamide (PubChem CID 123139933) has the molecular formula C20H19FN4 and a molecular weight of 334.40 g/mol. Its IUPAC name is 4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-(methylamino)benzenecarboximidamide.

Molecular Properties

Compound Name4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-(methylamino)benzenecarboximidamide
PubChem CID123139933
Molecular FormulaC20H19FN4
Molecular Weight334.40 g/mol
Exact Mass334.16
IUPAC Name4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-(methylamino)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2cccnc2-c2ccc(F)c(C)c2)cc1NC
InChIInChI=1S/C20H19FN4/c1-12-10-14(6-8-17(12)21)19-15(4-3-9-25-19)13-5-7-16(20(22)23)18(11-13)24-2/h3-11,24H,1-2H3,(H3,22,23)
InChIKeyWYCRVRJBAIWNKJ-UHFFFAOYSA-N
XLogP4.19
TPSA74.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 54.19
H-Bond Donors ≤ 53
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

1-N-ethyl-4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]benzene-1,2-diamine
CID 167216812
6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine
CID 90095042
2-amino-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(2-hydroxyethyl)-3-methanimidoylbenzamide
CID 167217299
6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole
CID 90094679
6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-8-methylquinazolin-4-amine
CID 118437878
2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-1-yl]acetamide
CID 90096296
6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-pyrazolo[4,5-b]pyridine
CID 90095810
N-(4-carbamoylphenyl)-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 90094803
N-(3-aminopropyl)-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazole-1-carboxamide
CID 90096225
[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridin-3-yl]methanediol
CID 138474219
[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]methanol
CID 90094224
6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 90095592

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-(methylamino)benzenecarboximidamide?
The IUPAC name of 4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-(methylamino)benzenecarboximidamide (CID 123139933) is 4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-(methylamino)benzenecarboximidamide.
What is the SMILES notation for 4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-(methylamino)benzenecarboximidamide?
The canonical SMILES for 4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-(methylamino)benzenecarboximidamide is [H]/N=C(\N)c1ccc(-c2cccnc2-c2ccc(F)c(C)c2)cc1NC.
What is the InChIKey of 4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-(methylamino)benzenecarboximidamide?
The InChIKey is WYCRVRJBAIWNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4/c1-12-10-14(6-8-17(12)21)19-15(4-3-9-25-19)13-5-7-16(20(22)23)18(11-13)24-2/h3-11,24H,1-2H3,(H3,22,23).
What are the key properties of 4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-(methylamino)benzenecarboximidamide?
4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-(methylamino)benzenecarboximidamide has a molecular weight of 334.40 g/mol, XLogP of 4.19, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-(methylamino)benzenecarboximidamide is sourced from PubChem (CID 123139933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).