N-[(2-amino-4-pyridinyl)methyl]-6-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenoxy]pyridine-3-carboxamide

C25H20F2N4O3 — CID 10322098

IUPACN-[(2-amino-4-pyridinyl)methyl]-6-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenoxy]pyridine-3-carboxamide
SMILESNc1cc(CNC(=O)c2ccc(Oc3ccc(OCc4cccc(F)c4)c(F)c3)nc2)ccn1
InChIInChI=1S/C25H20F2N4O3/c26-19-3-1-2-17(10-19)15-33-22-6-5-20(12-21(22)27)34-24-7-4-18(14-30-24)25(32)31-13-16-8-9-29-23(28)11-16/h1-12,14H,13,15H2,(H2,28,29)(H,31,32)
InChIKeyXYXCQXHCBXNTSC-UHFFFAOYSA-N
MW462.46 g/mol
LogP4.64
Rot. Bonds8

About N-[(2-amino-4-pyridinyl)methyl]-6-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenoxy]pyridine-3-carboxamide

N-[(2-amino-4-pyridinyl)methyl]-6-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenoxy]pyridine-3-carboxamide (PubChem CID 10322098) has the molecular formula C25H20F2N4O3 and a molecular weight of 462.46 g/mol. Its IUPAC name is N-[(2-amino-4-pyridinyl)methyl]-6-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-amino-4-pyridinyl)methyl]-6-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenoxy]pyridine-3-carboxamide
PubChem CID10322098
Molecular FormulaC25H20F2N4O3
Molecular Weight462.46 g/mol
Exact Mass462.15
IUPAC NameN-[(2-amino-4-pyridinyl)methyl]-6-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenoxy]pyridine-3-carboxamide
SMILESNc1cc(CNC(=O)c2ccc(Oc3ccc(OCc4cccc(F)c4)c(F)c3)nc2)ccn1
InChIInChI=1S/C25H20F2N4O3/c26-19-3-1-2-17(10-19)15-33-22-6-5-20(12-21(22)27)34-24-7-4-18(14-30-24)25(32)31-13-16-8-9-29-23(28)11-16/h1-12,14H,13,15H2,(H2,28,29)(H,31,32)
InChIKeyXYXCQXHCBXNTSC-UHFFFAOYSA-N
XLogP4.64
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.46
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(2-amino-4-pyridinyl)methyl]-6-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenoxy]pyridine-3-carboxamide with MolForge

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Related Compounds

N-(2-amino-2-oxoethyl)-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide
CID 10286337
N-[(3-fluorophenyl)methyl]-6-hydrazinylpyridine-3-carboxamide
CID 62243829
4-[(2,4-difluorophenoxy)methyl]pyridin-2-amine
CID 62464402
6-chloro-N-[(3-fluorophenyl)methyl]pyridine-3-carboxamide
CID 24903422
2-(3-fluorophenyl)-N-[[2-[(3-fluorophenyl)methoxy]-4-pyridinyl]methyl]acetamide
CID 171787172
N-[(2-ethoxy-4-pyridinyl)methyl]-6-phenoxypyridine-3-carboxamide
CID 78899959
[4-[(2-amino-4-pyridinyl)oxy]-2-fluorophenyl] N-benzylcarbamate
CID 91573991
2-chloro-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pyridine-4-carboxamide
CID 38526114
N-(3-fluorophenyl)-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide
CID 58368181
N-[(3-fluorophenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
CID 71841647
4-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]butanamide
CID 119870371
2-N,4-N-bis[(3-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 10293185

Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-4-pyridinyl)methyl]-6-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenoxy]pyridine-3-carboxamide?
The IUPAC name of N-[(2-amino-4-pyridinyl)methyl]-6-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenoxy]pyridine-3-carboxamide (CID 10322098) is N-[(2-amino-4-pyridinyl)methyl]-6-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-amino-4-pyridinyl)methyl]-6-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenoxy]pyridine-3-carboxamide?
The canonical SMILES for N-[(2-amino-4-pyridinyl)methyl]-6-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenoxy]pyridine-3-carboxamide is Nc1cc(CNC(=O)c2ccc(Oc3ccc(OCc4cccc(F)c4)c(F)c3)nc2)ccn1.
What is the InChIKey of N-[(2-amino-4-pyridinyl)methyl]-6-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenoxy]pyridine-3-carboxamide?
The InChIKey is XYXCQXHCBXNTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F2N4O3/c26-19-3-1-2-17(10-19)15-33-22-6-5-20(12-21(22)27)34-24-7-4-18(14-30-24)25(32)31-13-16-8-9-29-23(28)11-16/h1-12,14H,13,15H2,(H2,28,29)(H,31,32).
What are the key properties of N-[(2-amino-4-pyridinyl)methyl]-6-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenoxy]pyridine-3-carboxamide?
N-[(2-amino-4-pyridinyl)methyl]-6-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenoxy]pyridine-3-carboxamide has a molecular weight of 462.46 g/mol, XLogP of 4.64, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-4-pyridinyl)methyl]-6-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 10322098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).