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

C22H34N6O2 — CID 167298638

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

(Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-[3-(cyclopropylmethyl)-2,3-dihydro-1,2,4-oxadiazol-5-yl]prop-1-en-1-amine (PubChem CID 167298638) has the molecular formula C22H34N6O2 and a molecular weight of 414.55 g/mol. Its IUPAC name is (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-[3-(cyclopropylmethyl)-2,3-dihydro-1,2,4-oxadiazol-5-yl]prop-1-en-1-amine.

Molecular Properties

• Compound Name: (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-[3-(cyclopropylmethyl)-2,3-dihydro-1,2,4-oxadiazol-5-yl]prop-1-en-1-amine
• PubChem CID: 167298638
• Molecular Formula: C22H34N6O2
• Molecular Weight: 414.55 g/mol
• Exact Mass: 414.27
• IUPAC Name: (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-[3-(cyclopropylmethyl)-2,3-dihydro-1,2,4-oxadiazol-5-yl]prop-1-en-1-amine
• SMILES: Cc1nc(/C(N)=C(\CC2=NC(CC3CC3)NO2)N(C)N)ccc1OC1CCCCC1
• InChI: InChI=1S/C22H34N6O2/c1-14-19(29-16-6-4-3-5-7-16)11-10-17(25-14)22(23)18(28(2)24)13-21-26-20(27-30-21)12-15-8-9-15/h10-11,15-16,20,27H,3-9,12-13,23-24H2,1-2H3/b22-18-
• InChIKey: UDIIEPULYMHGIT-PYCFMQQDSA-N
• XLogP: 2.98
• TPSA: 111.02 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.55
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-[3-(cyclopropylmethyl)-2,3-dihydro-1,2,4-oxadiazol-5-yl]prop-1-en-1-amine?

The IUPAC name of (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-[3-(cyclopropylmethyl)-2,3-dihydro-1,2,4-oxadiazol-5-yl]prop-1-en-1-amine (CID 167298638) is (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-[3-(cyclopropylmethyl)-2,3-dihydro-1,2,4-oxadiazol-5-yl]prop-1-en-1-amine.

What is the SMILES notation for (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-[3-(cyclopropylmethyl)-2,3-dihydro-1,2,4-oxadiazol-5-yl]prop-1-en-1-amine?

The canonical SMILES for (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-[3-(cyclopropylmethyl)-2,3-dihydro-1,2,4-oxadiazol-5-yl]prop-1-en-1-amine is Cc1nc(/C(N)=C(\CC2=NC(CC3CC3)NO2)N(C)N)ccc1OC1CCCCC1.

What is the InChIKey of (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-[3-(cyclopropylmethyl)-2,3-dihydro-1,2,4-oxadiazol-5-yl]prop-1-en-1-amine?

The InChIKey is UDIIEPULYMHGIT-PYCFMQQDSA-N. The full InChI is InChI=1S/C22H34N6O2/c1-14-19(29-16-6-4-3-5-7-16)11-10-17(25-14)22(23)18(28(2)24)13-21-26-20(27-30-21)12-15-8-9-15/h10-11,15-16,20,27H,3-9,12-13,23-24H2,1-2H3/b22-18-.

What are the key properties of (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-[3-(cyclopropylmethyl)-2,3-dihydro-1,2,4-oxadiazol-5-yl]prop-1-en-1-amine?

(Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-[3-(cyclopropylmethyl)-2,3-dihydro-1,2,4-oxadiazol-5-yl]prop-1-en-1-amine has a molecular weight of 414.55 g/mol, XLogP of 2.98, 8 rotatable bonds, 3 hydrogen bond donors, and 8 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-[3-(cyclopropylmethyl)-2,3-dihydro-1,2,4-oxadiazol-5-yl]prop-1-en-1-amine is sourced from PubChem (CID 167298638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).