6-(3,6-dihydro-2H-pyran-4-yl)-3-N,3-N-dihydroxy-4-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]pyridine-3,4-diamine

C19H20F3N3O3 — CID 162606911

IUPAC6-(3,6-dihydro-2H-pyran-4-yl)-3-N,3-N-dihydroxy-4-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]pyridine-3,4-diamine
SMILESCc1c(CNc2cc(C3=CCOCC3)ncc2N(O)O)cccc1C(F)(F)F
InChIInChI=1S/C19H20F3N3O3/c1-12-14(3-2-4-15(12)19(20,21)22)10-23-17-9-16(13-5-7-28-8-6-13)24-11-18(17)25(26)27/h2-5,9,11,26-27H,6-8,10H2,1H3,(H,23,24)
InChIKeyAWDGCVWURIRHNF-UHFFFAOYSA-N
MW395.38 g/mol
LogP4.41
Rot. Bonds5

About 6-(3,6-dihydro-2H-pyran-4-yl)-3-N,3-N-dihydroxy-4-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]pyridine-3,4-diamine

6-(3,6-dihydro-2H-pyran-4-yl)-3-N,3-N-dihydroxy-4-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]pyridine-3,4-diamine (PubChem CID 162606911) has the molecular formula C19H20F3N3O3 and a molecular weight of 395.38 g/mol. Its IUPAC name is 6-(3,6-dihydro-2H-pyran-4-yl)-3-N,3-N-dihydroxy-4-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]pyridine-3,4-diamine.

Molecular Properties

Compound Name6-(3,6-dihydro-2H-pyran-4-yl)-3-N,3-N-dihydroxy-4-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]pyridine-3,4-diamine
PubChem CID162606911
Molecular FormulaC19H20F3N3O3
Molecular Weight395.38 g/mol
Exact Mass395.15
IUPAC Name6-(3,6-dihydro-2H-pyran-4-yl)-3-N,3-N-dihydroxy-4-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]pyridine-3,4-diamine
SMILESCc1c(CNc2cc(C3=CCOCC3)ncc2N(O)O)cccc1C(F)(F)F
InChIInChI=1S/C19H20F3N3O3/c1-12-14(3-2-4-15(12)19(20,21)22)10-23-17-9-16(13-5-7-28-8-6-13)24-11-18(17)25(26)27/h2-5,9,11,26-27H,6-8,10H2,1H3,(H,23,24)
InChIKeyAWDGCVWURIRHNF-UHFFFAOYSA-N
XLogP4.41
TPSA77.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.38
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-[2-methyl-3-(trifluoromethyl)phenyl]methanamine
CID 155749063
N-(2-hydroxyethyl)-8-[[2-methyl-3-(trifluoromethyl)phenyl]methylamino]-2-morpholin-4-ylquinoxaline-6-carboxamide
CID 129030364
methyl 2-cyclopropyl-5-[3-(3,6-dihydro-2H-pyran-4-yl)-2-(2,2,2-trifluoroethoxy)anilino]pyridine-4-carboxylate
CID 170182553
[4-[7-methoxy-4-[[2-methyl-3-(trifluoromethyl)phenyl]methylamino]quinolin-6-yl]piperazin-1-yl]-(oxetan-3-yl)methanone
CID 171658444
N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-piperazin-1-ylquinolin-4-amine
CID 171658454
1-(fluoromethyl)-2-methyl-3-(trifluoromethyl)benzene
CID 129042451
6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]cinnolin-4-amine
CID 171504317
4-[[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]methylamino]-3-fluorobenzoic acid
CID 135241241
(2-chlorophenyl)-[6-(3,6-dihydro-2H-pyran-4-yl)-4-[[1-[(4-methoxyphenyl)methyl]-5-methyl-4-nitropyrazol-3-yl]amino]-3-pyridinyl]methanone
CID 140960054
2-methyl-4-[[2-methyl-3-(trifluoromethyl)phenyl]methylamino]-6-(oxan-4-yl)pyrido[4,3-d]pyrimidin-7-one
CID 165398624
2-[3-[(1R)-1-[[3-(3,6-dihydro-2H-pyran-4-yl)-7-methylpyrimido[4,5-c]pyridazin-5-yl]amino]ethyl]-2-fluorophenyl]-2,2-difluoroethanol
CID 162516084
4-chloro-N-[(2-methylphenyl)methyl]-2-(trifluoromethyl)aniline
CID 29045449

Frequently Asked Questions

What is the IUPAC name of 6-(3,6-dihydro-2H-pyran-4-yl)-3-N,3-N-dihydroxy-4-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]pyridine-3,4-diamine?
The IUPAC name of 6-(3,6-dihydro-2H-pyran-4-yl)-3-N,3-N-dihydroxy-4-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]pyridine-3,4-diamine (CID 162606911) is 6-(3,6-dihydro-2H-pyran-4-yl)-3-N,3-N-dihydroxy-4-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]pyridine-3,4-diamine.
What is the SMILES notation for 6-(3,6-dihydro-2H-pyran-4-yl)-3-N,3-N-dihydroxy-4-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]pyridine-3,4-diamine?
The canonical SMILES for 6-(3,6-dihydro-2H-pyran-4-yl)-3-N,3-N-dihydroxy-4-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]pyridine-3,4-diamine is Cc1c(CNc2cc(C3=CCOCC3)ncc2N(O)O)cccc1C(F)(F)F.
What is the InChIKey of 6-(3,6-dihydro-2H-pyran-4-yl)-3-N,3-N-dihydroxy-4-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]pyridine-3,4-diamine?
The InChIKey is AWDGCVWURIRHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O3/c1-12-14(3-2-4-15(12)19(20,21)22)10-23-17-9-16(13-5-7-28-8-6-13)24-11-18(17)25(26)27/h2-5,9,11,26-27H,6-8,10H2,1H3,(H,23,24).
What are the key properties of 6-(3,6-dihydro-2H-pyran-4-yl)-3-N,3-N-dihydroxy-4-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]pyridine-3,4-diamine?
6-(3,6-dihydro-2H-pyran-4-yl)-3-N,3-N-dihydroxy-4-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]pyridine-3,4-diamine has a molecular weight of 395.38 g/mol, XLogP of 4.41, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,6-dihydro-2H-pyran-4-yl)-3-N,3-N-dihydroxy-4-N-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]pyridine-3,4-diamine is sourced from PubChem (CID 162606911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).