N-[(2,4-dimethoxyphenyl)methyl]-3-fluoro-4-[[5-(3-fluoro-2-pyridinyl)-4-methyl-3-pyridinyl]methyl]pyridin-2-amine

C26H24F2N4O2 — CID 174161551

IUPACN-[(2,4-dimethoxyphenyl)methyl]-3-fluoro-4-[[5-(3-fluoro-2-pyridinyl)-4-methyl-3-pyridinyl]methyl]pyridin-2-amine
SMILESCOc1ccc(CNc2nccc(Cc3cncc(-c4ncccc4F)c3C)c2F)c(OC)c1
InChIInChI=1S/C26H24F2N4O2/c1-16-19(13-29-15-21(16)25-22(27)5-4-9-30-25)11-17-8-10-31-26(24(17)28)32-14-18-6-7-20(33-2)12-23(18)34-3/h4-10,12-13,15H,11,14H2,1-3H3,(H,31,32)
InChIKeyNXQVKTJSWGCODI-UHFFFAOYSA-N
MW462.50 g/mol
LogP5.35
Rot. Bonds8

About N-[(2,4-dimethoxyphenyl)methyl]-3-fluoro-4-[[5-(3-fluoro-2-pyridinyl)-4-methyl-3-pyridinyl]methyl]pyridin-2-amine

N-[(2,4-dimethoxyphenyl)methyl]-3-fluoro-4-[[5-(3-fluoro-2-pyridinyl)-4-methyl-3-pyridinyl]methyl]pyridin-2-amine (PubChem CID 174161551) has the molecular formula C26H24F2N4O2 and a molecular weight of 462.50 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-3-fluoro-4-[[5-(3-fluoro-2-pyridinyl)-4-methyl-3-pyridinyl]methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-3-fluoro-4-[[5-(3-fluoro-2-pyridinyl)-4-methyl-3-pyridinyl]methyl]pyridin-2-amine
PubChem CID174161551
Molecular FormulaC26H24F2N4O2
Molecular Weight462.50 g/mol
Exact Mass462.19
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-3-fluoro-4-[[5-(3-fluoro-2-pyridinyl)-4-methyl-3-pyridinyl]methyl]pyridin-2-amine
SMILESCOc1ccc(CNc2nccc(Cc3cncc(-c4ncccc4F)c3C)c2F)c(OC)c1
InChIInChI=1S/C26H24F2N4O2/c1-16-19(13-29-15-21(16)25-22(27)5-4-9-30-25)11-17-8-10-31-26(24(17)28)32-14-18-6-7-20(33-2)12-23(18)34-3/h4-10,12-13,15H,11,14H2,1-3H3,(H,31,32)
InChIKeyNXQVKTJSWGCODI-UHFFFAOYSA-N
XLogP5.35
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.50
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2,4-dimethoxyphenyl)methyl]-3-fluoro-4-[[5-(3-fluoro-2-pyridinyl)-4-methyl-3-pyridinyl]methyl]pyridin-2-amine with MolForge

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-3-fluoro-4-methoxypyridin-2-amine
CID 155166582
3-chloro-N-[(2,4-dimethoxyphenyl)methyl]pyridin-2-amine
CID 55189857
2-bromo-3-fluoro-4-methoxypyridine;N-[(2,4-dimethoxyphenyl)methyl]-3-fluoro-4-methoxypyridin-2-amine
CID 167698309
2-[(2,4-dimethoxyphenyl)methylamino]-N-methylpyridine-3-carboxamide
CID 133319491
5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-3-fluoropyridin-2-amine
CID 104923949
4-N-[(2,4-dimethoxyphenyl)methyl]-5-fluoropyrimidine-2,4-diamine
CID 80829199
N-[(2,4-dimethoxyphenyl)methyl]pyrazin-2-amine
CID 60966861
3-fluoro-4-[[5-(2-fluoro-4-methoxyanilino)-4-methyl-3-pyridinyl]methyl]pyridin-2-amine
CID 174161470
6-methoxy-N-[(4-methyl-3-pyridinyl)methyl]isoquinolin-1-amine
CID 106540003
N-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;ethane
CID 153349161
N-[(2,4-dimethoxyphenyl)methyl]-5,6,7,8-tetrahydro-2,6-naphthyridin-1-amine
CID 162376872
N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-3-methylpyrazin-2-amine
CID 139004064

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-3-fluoro-4-[[5-(3-fluoro-2-pyridinyl)-4-methyl-3-pyridinyl]methyl]pyridin-2-amine?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-3-fluoro-4-[[5-(3-fluoro-2-pyridinyl)-4-methyl-3-pyridinyl]methyl]pyridin-2-amine (CID 174161551) is N-[(2,4-dimethoxyphenyl)methyl]-3-fluoro-4-[[5-(3-fluoro-2-pyridinyl)-4-methyl-3-pyridinyl]methyl]pyridin-2-amine.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-3-fluoro-4-[[5-(3-fluoro-2-pyridinyl)-4-methyl-3-pyridinyl]methyl]pyridin-2-amine?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-3-fluoro-4-[[5-(3-fluoro-2-pyridinyl)-4-methyl-3-pyridinyl]methyl]pyridin-2-amine is COc1ccc(CNc2nccc(Cc3cncc(-c4ncccc4F)c3C)c2F)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-3-fluoro-4-[[5-(3-fluoro-2-pyridinyl)-4-methyl-3-pyridinyl]methyl]pyridin-2-amine?
The InChIKey is NXQVKTJSWGCODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2N4O2/c1-16-19(13-29-15-21(16)25-22(27)5-4-9-30-25)11-17-8-10-31-26(24(17)28)32-14-18-6-7-20(33-2)12-23(18)34-3/h4-10,12-13,15H,11,14H2,1-3H3,(H,31,32).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-3-fluoro-4-[[5-(3-fluoro-2-pyridinyl)-4-methyl-3-pyridinyl]methyl]pyridin-2-amine?
N-[(2,4-dimethoxyphenyl)methyl]-3-fluoro-4-[[5-(3-fluoro-2-pyridinyl)-4-methyl-3-pyridinyl]methyl]pyridin-2-amine has a molecular weight of 462.50 g/mol, XLogP of 5.35, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-3-fluoro-4-[[5-(3-fluoro-2-pyridinyl)-4-methyl-3-pyridinyl]methyl]pyridin-2-amine is sourced from PubChem (CID 174161551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).