N'-[4-[3-(2-hydroxypropan-2-yl)phenyl]phenyl]-1-methyl-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide

C23H30N4O — CID 139398484

IUPACN'-[4-[3-(2-hydroxypropan-2-yl)phenyl]phenyl]-1-methyl-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide
SMILESCNC1=C(/C(N)=N/c2ccc(-c3cccc(C(C)(C)O)c3)cc2)CN(C)CC1
InChIInChI=1S/C23H30N4O/c1-23(2,28)18-7-5-6-17(14-18)16-8-10-19(11-9-16)26-22(24)20-15-27(4)13-12-21(20)25-3/h5-11,14,25,28H,12-13,15H2,1-4H3,(H2,24,26)
InChIKeyGBHUKDWFPYVXKJ-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.38
Rot. Bonds5

About N'-[4-[3-(2-hydroxypropan-2-yl)phenyl]phenyl]-1-methyl-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide

N'-[4-[3-(2-hydroxypropan-2-yl)phenyl]phenyl]-1-methyl-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide (PubChem CID 139398484) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is N'-[4-[3-(2-hydroxypropan-2-yl)phenyl]phenyl]-1-methyl-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide.

Molecular Properties

Compound NameN'-[4-[3-(2-hydroxypropan-2-yl)phenyl]phenyl]-1-methyl-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide
PubChem CID139398484
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC NameN'-[4-[3-(2-hydroxypropan-2-yl)phenyl]phenyl]-1-methyl-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide
SMILESCNC1=C(/C(N)=N/c2ccc(-c3cccc(C(C)(C)O)c3)cc2)CN(C)CC1
InChIInChI=1S/C23H30N4O/c1-23(2,28)18-7-5-6-17(14-18)16-8-10-19(11-9-16)26-22(24)20-15-27(4)13-12-21(20)25-3/h5-11,14,25,28H,12-13,15H2,1-4H3,(H2,24,26)
InChIKeyGBHUKDWFPYVXKJ-UHFFFAOYSA-N
XLogP3.38
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[4-[3-(2-hydroxypropan-2-yl)phenyl]phenyl]-1-methyl-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide?
The IUPAC name of N'-[4-[3-(2-hydroxypropan-2-yl)phenyl]phenyl]-1-methyl-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide (CID 139398484) is N'-[4-[3-(2-hydroxypropan-2-yl)phenyl]phenyl]-1-methyl-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide.
What is the SMILES notation for N'-[4-[3-(2-hydroxypropan-2-yl)phenyl]phenyl]-1-methyl-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide?
The canonical SMILES for N'-[4-[3-(2-hydroxypropan-2-yl)phenyl]phenyl]-1-methyl-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide is CNC1=C(/C(N)=N/c2ccc(-c3cccc(C(C)(C)O)c3)cc2)CN(C)CC1.
What is the InChIKey of N'-[4-[3-(2-hydroxypropan-2-yl)phenyl]phenyl]-1-methyl-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide?
The InChIKey is GBHUKDWFPYVXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c1-23(2,28)18-7-5-6-17(14-18)16-8-10-19(11-9-16)26-22(24)20-15-27(4)13-12-21(20)25-3/h5-11,14,25,28H,12-13,15H2,1-4H3,(H2,24,26).
What are the key properties of N'-[4-[3-(2-hydroxypropan-2-yl)phenyl]phenyl]-1-methyl-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide?
N'-[4-[3-(2-hydroxypropan-2-yl)phenyl]phenyl]-1-methyl-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide has a molecular weight of 378.52 g/mol, XLogP of 3.38, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[3-(2-hydroxypropan-2-yl)phenyl]phenyl]-1-methyl-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide is sourced from PubChem (CID 139398484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).