N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-6-propan-2-ylpyridazin-3-amine

C19H18F2N4O — CID 56701060

IUPACN-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-6-propan-2-ylpyridazin-3-amine
SMILESCC(C)c1ccc(NCc2cccnc2Oc2ccc(F)c(F)c2)nn1
InChIInChI=1S/C19H18F2N4O/c1-12(2)17-7-8-18(25-24-17)23-11-13-4-3-9-22-19(13)26-14-5-6-15(20)16(21)10-14/h3-10,12H,11H2,1-2H3,(H,23,25)
InChIKeyRJDROIKZVQWANQ-UHFFFAOYSA-N
MW356.38 g/mol
LogP4.68
Rot. Bonds6

About N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-6-propan-2-ylpyridazin-3-amine

N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-6-propan-2-ylpyridazin-3-amine (PubChem CID 56701060) has the molecular formula C19H18F2N4O and a molecular weight of 356.38 g/mol. Its IUPAC name is N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-6-propan-2-ylpyridazin-3-amine.

Molecular Properties

Compound NameN-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-6-propan-2-ylpyridazin-3-amine
PubChem CID56701060
Molecular FormulaC19H18F2N4O
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC NameN-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-6-propan-2-ylpyridazin-3-amine
SMILESCC(C)c1ccc(NCc2cccnc2Oc2ccc(F)c(F)c2)nn1
InChIInChI=1S/C19H18F2N4O/c1-12(2)17-7-8-18(25-24-17)23-11-13-4-3-9-22-19(13)26-14-5-6-15(20)16(21)10-14/h3-10,12H,11H2,1-2H3,(H,23,25)
InChIKeyRJDROIKZVQWANQ-UHFFFAOYSA-N
XLogP4.68
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
4-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methylamino]-2-methoxypyridine-3-carbonitrile
CID 56753439
(2R)-N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
CID 95208009
(2S)-N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 26413168
N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]thian-4-amine
CID 42522770
(1R)-1-[2-(3,4-difluorophenoxy)-3-pyridinyl]ethanol
CID 114056480
N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-3-hydroxy-4-methylbenzamide
CID 56750373
N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]furan-2-carboxamide
CID 25289025
N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 42519109
(3R)-N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 95193256
N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-5-hydroxy-4-oxopyran-2-carboxamide
CID 56754301

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-6-propan-2-ylpyridazin-3-amine?
The IUPAC name of N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-6-propan-2-ylpyridazin-3-amine (CID 56701060) is N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-6-propan-2-ylpyridazin-3-amine.
What is the SMILES notation for N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-6-propan-2-ylpyridazin-3-amine?
The canonical SMILES for N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-6-propan-2-ylpyridazin-3-amine is CC(C)c1ccc(NCc2cccnc2Oc2ccc(F)c(F)c2)nn1.
What is the InChIKey of N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-6-propan-2-ylpyridazin-3-amine?
The InChIKey is RJDROIKZVQWANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O/c1-12(2)17-7-8-18(25-24-17)23-11-13-4-3-9-22-19(13)26-14-5-6-15(20)16(21)10-14/h3-10,12H,11H2,1-2H3,(H,23,25).
What are the key properties of N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-6-propan-2-ylpyridazin-3-amine?
N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-6-propan-2-ylpyridazin-3-amine has a molecular weight of 356.38 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-6-propan-2-ylpyridazin-3-amine is sourced from PubChem (CID 56701060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).