4-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methylamino]-2-methoxypyridine-3-carbonitrile

C19H14F2N4O2 — CID 56753439

IUPAC4-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methylamino]-2-methoxypyridine-3-carbonitrile
SMILESCOc1nccc(NCc2cccnc2Oc2ccc(F)c(F)c2)c1C#N
InChIInChI=1S/C19H14F2N4O2/c1-26-19-14(10-22)17(6-8-24-19)25-11-12-3-2-7-23-18(12)27-13-4-5-15(20)16(21)9-13/h2-9H,11H2,1H3,(H,24,25)
InChIKeyFVECLWNZDCOSJL-UHFFFAOYSA-N
MW368.34 g/mol
LogP4.04
Rot. Bonds6

About 4-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methylamino]-2-methoxypyridine-3-carbonitrile

4-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methylamino]-2-methoxypyridine-3-carbonitrile (PubChem CID 56753439) has the molecular formula C19H14F2N4O2 and a molecular weight of 368.34 g/mol. Its IUPAC name is 4-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methylamino]-2-methoxypyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methylamino]-2-methoxypyridine-3-carbonitrile
PubChem CID56753439
Molecular FormulaC19H14F2N4O2
Molecular Weight368.34 g/mol
Exact Mass368.11
IUPAC Name4-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methylamino]-2-methoxypyridine-3-carbonitrile
SMILESCOc1nccc(NCc2cccnc2Oc2ccc(F)c(F)c2)c1C#N
InChIInChI=1S/C19H14F2N4O2/c1-26-19-14(10-22)17(6-8-24-19)25-11-12-3-2-7-23-18(12)27-13-4-5-15(20)16(21)9-13/h2-9H,11H2,1H3,(H,24,25)
InChIKeyFVECLWNZDCOSJL-UHFFFAOYSA-N
XLogP4.04
TPSA80.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.34
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-6-[(2-methoxy-3-pyridinyl)methylamino]benzonitrile
CID 60733884
2-N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 56722126
N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-3,3-dimethylbutanamide
CID 56739429
N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-6-propan-2-ylpyridazin-3-amine
CID 56701060
4-bromo-2-[(2-methoxy-3-pyridinyl)methylamino]benzonitrile
CID 114905243
N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]thian-4-amine
CID 42522770
N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]furan-2-carboxamide
CID 25289025
N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine
CID 102876282
(2S)-N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 26413168
2-fluoro-5-methoxy-N-[(2-methyl-3-pyridinyl)methyl]aniline
CID 75482762
2-[(2-fluoro-4-methoxyphenyl)methylamino]-6-methylbenzonitrile
CID 107804560
5-bromo-4-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]-2-methylaniline
CID 107591882

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methylamino]-2-methoxypyridine-3-carbonitrile?
The IUPAC name of 4-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methylamino]-2-methoxypyridine-3-carbonitrile (CID 56753439) is 4-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methylamino]-2-methoxypyridine-3-carbonitrile.
What is the SMILES notation for 4-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methylamino]-2-methoxypyridine-3-carbonitrile?
The canonical SMILES for 4-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methylamino]-2-methoxypyridine-3-carbonitrile is COc1nccc(NCc2cccnc2Oc2ccc(F)c(F)c2)c1C#N.
What is the InChIKey of 4-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methylamino]-2-methoxypyridine-3-carbonitrile?
The InChIKey is FVECLWNZDCOSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N4O2/c1-26-19-14(10-22)17(6-8-24-19)25-11-12-3-2-7-23-18(12)27-13-4-5-15(20)16(21)9-13/h2-9H,11H2,1H3,(H,24,25).
What are the key properties of 4-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methylamino]-2-methoxypyridine-3-carbonitrile?
4-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methylamino]-2-methoxypyridine-3-carbonitrile has a molecular weight of 368.34 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methylamino]-2-methoxypyridine-3-carbonitrile is sourced from PubChem (CID 56753439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).