3-fluoro-4-[[5-(2-fluoro-4-methoxyanilino)-4-methyl-3-pyridinyl]methyl]pyridin-2-amine

C19H18F2N4O — CID 174161470

IUPAC3-fluoro-4-[[5-(2-fluoro-4-methoxyanilino)-4-methyl-3-pyridinyl]methyl]pyridin-2-amine
SMILESCOc1ccc(Nc2cncc(Cc3ccnc(N)c3F)c2C)c(F)c1
InChIInChI=1S/C19H18F2N4O/c1-11-13(7-12-5-6-24-19(22)18(12)21)9-23-10-17(11)25-16-4-3-14(26-2)8-15(16)20/h3-6,8-10,25H,7H2,1-2H3,(H2,22,24)
InChIKeyDWOSRIJISPKCOI-UHFFFAOYSA-N
MW356.38 g/mol
LogP3.99
Rot. Bonds5

About 3-fluoro-4-[[5-(2-fluoro-4-methoxyanilino)-4-methyl-3-pyridinyl]methyl]pyridin-2-amine

3-fluoro-4-[[5-(2-fluoro-4-methoxyanilino)-4-methyl-3-pyridinyl]methyl]pyridin-2-amine (PubChem CID 174161470) has the molecular formula C19H18F2N4O and a molecular weight of 356.38 g/mol. Its IUPAC name is 3-fluoro-4-[[5-(2-fluoro-4-methoxyanilino)-4-methyl-3-pyridinyl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-fluoro-4-[[5-(2-fluoro-4-methoxyanilino)-4-methyl-3-pyridinyl]methyl]pyridin-2-amine
PubChem CID174161470
Molecular FormulaC19H18F2N4O
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name3-fluoro-4-[[5-(2-fluoro-4-methoxyanilino)-4-methyl-3-pyridinyl]methyl]pyridin-2-amine
SMILESCOc1ccc(Nc2cncc(Cc3ccnc(N)c3F)c2C)c(F)c1
InChIInChI=1S/C19H18F2N4O/c1-11-13(7-12-5-6-24-19(22)18(12)21)9-23-10-17(11)25-16-4-3-14(26-2)8-15(16)20/h3-6,8-10,25H,7H2,1-2H3,(H2,22,24)
InChIKeyDWOSRIJISPKCOI-UHFFFAOYSA-N
XLogP3.99
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-fluoro-4-[[5-(2-fluoro-4-methoxyanilino)-4-methyl-3-pyridinyl]methyl]pyridin-2-amine 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

N~2~-(4-Methoxyphenyl)pyridine-2,3-diamine
CID 11447232
2,4-Disubstituted Pyrimidine 2g
CID 5329420
6-({[5-({[2-(3-Fluorophenyl)ethyl]amino}methyl)pyridin-3-Yl]oxy}methyl)-4-Methylpyridin-2-Amine
CID 71627414
2-Pyridinamine, 4-(4-methoxyphenyl)-
CID 82397500
N~3~-[3-(5-Methoxypyridin-3-YL)benzyl]pyridine-2,3-diamine
CID 11500493
2-Amino-6-(4-methoxyphenyl)-5-methyl-4-pyridin-3-ylpyridine-3-carbonitrile
CID 934596
6-[(3-Fluoro-4-methoxy-anilino)methyl]-5-methyl-pyrido[2,3-d]pyrimidine-2,4-diamine
CID 472849
2-Amino-4-(3-methoxyphenyl)-6-pyridin-3-ylpyridine-3-carbonitrile
CID 938228
1-(4-Ethyl-2-pyridinyl)-3-(4-phenylmethoxyphenyl)urea
CID 2811862
1-(4-Methoxy-3,5-dimethylbenzyl)-4-(3-(ethylamino)-2-pyridyl)piperazine hydrochloride
CID 196882
N2-(4-methoxyphenyl)-N4-(quinolin-3-yl)pyrimidine-2,4-diamine
CID 9967928
N-(2-methoxyphenyl)-4-(2-(2-methoxyphenylamino)pyridin-4-yl)pyridin-2-amine
CID 10475988

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[[5-(2-fluoro-4-methoxyanilino)-4-methyl-3-pyridinyl]methyl]pyridin-2-amine?
The IUPAC name of 3-fluoro-4-[[5-(2-fluoro-4-methoxyanilino)-4-methyl-3-pyridinyl]methyl]pyridin-2-amine (CID 174161470) is 3-fluoro-4-[[5-(2-fluoro-4-methoxyanilino)-4-methyl-3-pyridinyl]methyl]pyridin-2-amine.
What is the SMILES notation for 3-fluoro-4-[[5-(2-fluoro-4-methoxyanilino)-4-methyl-3-pyridinyl]methyl]pyridin-2-amine?
The canonical SMILES for 3-fluoro-4-[[5-(2-fluoro-4-methoxyanilino)-4-methyl-3-pyridinyl]methyl]pyridin-2-amine is COc1ccc(Nc2cncc(Cc3ccnc(N)c3F)c2C)c(F)c1.
What is the InChIKey of 3-fluoro-4-[[5-(2-fluoro-4-methoxyanilino)-4-methyl-3-pyridinyl]methyl]pyridin-2-amine?
The InChIKey is DWOSRIJISPKCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O/c1-11-13(7-12-5-6-24-19(22)18(12)21)9-23-10-17(11)25-16-4-3-14(26-2)8-15(16)20/h3-6,8-10,25H,7H2,1-2H3,(H2,22,24).
What are the key properties of 3-fluoro-4-[[5-(2-fluoro-4-methoxyanilino)-4-methyl-3-pyridinyl]methyl]pyridin-2-amine?
3-fluoro-4-[[5-(2-fluoro-4-methoxyanilino)-4-methyl-3-pyridinyl]methyl]pyridin-2-amine has a molecular weight of 356.38 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[[5-(2-fluoro-4-methoxyanilino)-4-methyl-3-pyridinyl]methyl]pyridin-2-amine is sourced from PubChem (CID 174161470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).