2-methyl-1-[6-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-3-pyridinyl]guanidine

C22H22N4O2 — CID 69015492

IUPAC2-methyl-1-[6-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-3-pyridinyl]guanidine
SMILESC/N=C(\N)Nc1ccc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)nc1
InChIInChI=1S/C22H22N4O2/c1-24-22(23)26-17-8-12-21(25-14-17)27-18-9-11-20-16(13-18)7-10-19(28-20)15-5-3-2-4-6-15/h2-6,8-9,11-14,19H,7,10H2,1H3,(H3,23,24,26)
InChIKeyODUITKKGFRTICH-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.30
Rot. Bonds4

About 2-methyl-1-[6-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-3-pyridinyl]guanidine

2-methyl-1-[6-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-3-pyridinyl]guanidine (PubChem CID 69015492) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-methyl-1-[6-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-3-pyridinyl]guanidine.

Molecular Properties

Compound Name2-methyl-1-[6-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-3-pyridinyl]guanidine
PubChem CID69015492
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name2-methyl-1-[6-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-3-pyridinyl]guanidine
SMILESC/N=C(\N)Nc1ccc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)nc1
InChIInChI=1S/C22H22N4O2/c1-24-22(23)26-17-8-12-21(25-14-17)27-18-9-11-20-16(13-18)7-10-19(28-20)15-5-3-2-4-6-15/h2-6,8-9,11-14,19H,7,10H2,1H3,(H3,23,24,26)
InChIKeyODUITKKGFRTICH-UHFFFAOYSA-N
XLogP4.30
TPSA81.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.30
H-Bond Donors ≤ 52
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 2-methyl-1-[6-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-3-pyridinyl]guanidine?
The IUPAC name of 2-methyl-1-[6-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-3-pyridinyl]guanidine (CID 69015492) is 2-methyl-1-[6-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-3-pyridinyl]guanidine.
What is the SMILES notation for 2-methyl-1-[6-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-3-pyridinyl]guanidine?
The canonical SMILES for 2-methyl-1-[6-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-3-pyridinyl]guanidine is C/N=C(\N)Nc1ccc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)nc1.
What is the InChIKey of 2-methyl-1-[6-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-3-pyridinyl]guanidine?
The InChIKey is ODUITKKGFRTICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-24-22(23)26-17-8-12-21(25-14-17)27-18-9-11-20-16(13-18)7-10-19(28-20)15-5-3-2-4-6-15/h2-6,8-9,11-14,19H,7,10H2,1H3,(H3,23,24,26).
What are the key properties of 2-methyl-1-[6-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-3-pyridinyl]guanidine?
2-methyl-1-[6-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-3-pyridinyl]guanidine has a molecular weight of 374.44 g/mol, XLogP of 4.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[6-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-3-pyridinyl]guanidine is sourced from PubChem (CID 69015492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).