(Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)oxy]prop-1-en-1-amine

C21H30N6O3 — CID 167298872

IUPAC(Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)oxy]prop-1-en-1-amine
SMILESCc1nc(/C(N)=C(\COc2noc(C3CC3)n2)N(C)N)ccc1OC1CCCCC1
InChIInChI=1S/C21H30N6O3/c1-13-18(29-15-6-4-3-5-7-15)11-10-16(24-13)19(22)17(27(2)23)12-28-21-25-20(30-26-21)14-8-9-14/h10-11,14-15H,3-9,12,22-23H2,1-2H3/b19-17-
InChIKeyYBDZRLUOLILOQU-ZPHPHTNESA-N
MW414.51 g/mol
LogP2.87
Rot. Bonds8

About (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)oxy]prop-1-en-1-amine

(Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)oxy]prop-1-en-1-amine (PubChem CID 167298872) has the molecular formula C21H30N6O3 and a molecular weight of 414.51 g/mol. Its IUPAC name is (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)oxy]prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)oxy]prop-1-en-1-amine
PubChem CID167298872
Molecular FormulaC21H30N6O3
Molecular Weight414.51 g/mol
Exact Mass414.24
IUPAC Name(Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)oxy]prop-1-en-1-amine
SMILESCc1nc(/C(N)=C(\COc2noc(C3CC3)n2)N(C)N)ccc1OC1CCCCC1
InChIInChI=1S/C21H30N6O3/c1-13-18(29-15-6-4-3-5-7-15)11-10-16(24-13)19(22)17(27(2)23)12-28-21-25-20(30-26-21)14-8-9-14/h10-11,14-15H,3-9,12,22-23H2,1-2H3/b19-17-
InChIKeyYBDZRLUOLILOQU-ZPHPHTNESA-N
XLogP2.87
TPSA125.55 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)oxy]prop-1-en-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)oxy]prop-1-en-1-amine?
The IUPAC name of (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)oxy]prop-1-en-1-amine (CID 167298872) is (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)oxy]prop-1-en-1-amine.
What is the SMILES notation for (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)oxy]prop-1-en-1-amine?
The canonical SMILES for (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)oxy]prop-1-en-1-amine is Cc1nc(/C(N)=C(\COc2noc(C3CC3)n2)N(C)N)ccc1OC1CCCCC1.
What is the InChIKey of (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)oxy]prop-1-en-1-amine?
The InChIKey is YBDZRLUOLILOQU-ZPHPHTNESA-N. The full InChI is InChI=1S/C21H30N6O3/c1-13-18(29-15-6-4-3-5-7-15)11-10-16(24-13)19(22)17(27(2)23)12-28-21-25-20(30-26-21)14-8-9-14/h10-11,14-15H,3-9,12,22-23H2,1-2H3/b19-17-.
What are the key properties of (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)oxy]prop-1-en-1-amine?
(Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)oxy]prop-1-en-1-amine has a molecular weight of 414.51 g/mol, XLogP of 2.87, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)oxy]prop-1-en-1-amine is sourced from PubChem (CID 167298872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).