[(Z)-3-amino-2-[amino(methyl)amino]-3-[5-cyclohexyloxy-6-(methoxymethyl)-2-pyridinyl]prop-2-enyl] N-(cyclobutylmethyl)-N-methylcarbamate;methanol

C25H43N5O5 — CID 145423922

About [(Z)-3-amino-2-[amino(methyl)amino]-3-[5-cyclohexyloxy-6-(methoxymethyl)-2-pyridinyl]prop-2-enyl] N-(cyclobutylmethyl)-N-methylcarbamate;methanol

[(Z)-3-amino-2-[amino(methyl)amino]-3-[5-cyclohexyloxy-6-(methoxymethyl)-2-pyridinyl]prop-2-enyl] N-(cyclobutylmethyl)-N-methylcarbamate;methanol (PubChem CID 145423922) has the molecular formula C25H43N5O5 and a molecular weight of 493.65 g/mol. Its IUPAC name is [(Z)-3-amino-2-[amino(methyl)amino]-3-[5-cyclohexyloxy-6-(methoxymethyl)-2-pyridinyl]prop-2-enyl] N-(cyclobutylmethyl)-N-methylcarbamate;methanol.

Molecular Properties

• Compound Name: [(Z)-3-amino-2-[amino(methyl)amino]-3-[5-cyclohexyloxy-6-(methoxymethyl)-2-pyridinyl]prop-2-enyl] N-(cyclobutylmethyl)-N-methylcarbamate;methanol
• PubChem CID: 145423922
• Molecular Formula: C25H43N5O5
• Molecular Weight: 493.65 g/mol
• Exact Mass: 493.33
• IUPAC Name: [(Z)-3-amino-2-[amino(methyl)amino]-3-[5-cyclohexyloxy-6-(methoxymethyl)-2-pyridinyl]prop-2-enyl] N-(cyclobutylmethyl)-N-methylcarbamate;methanol
• SMILES: CO.COCc1nc(/C(N)=C(\COC(=O)N(C)CC2CCC2)N(C)N)ccc1OC1CCCCC1
• InChI: InChI=1S/C24H39N5O4.CH4O/c1-28(14-17-8-7-9-17)24(30)32-16-21(29(2)26)23(25)19-12-13-22(20(27-19)15-31-3)33-18-10-5-4-6-11-18;1-2/h12-13,17-18H,4-11,14-16,25-26H2,1-3H3;2H,1H3/b23-21-
• InChIKey: VMOFUWUEMZKIDR-VZXGSGAOSA-N
• XLogP: 2.85
• TPSA: 136.40 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.65
LogP ≤ 5	2.85
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

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)-3-amino-2-[amino(methyl)amino]-3-[5-cyclohexyloxy-6-(methoxymethyl)-2-pyridinyl]prop-2-enyl] N-(cyclobutylmethyl)-N-methylcarbamate;methanol?

The IUPAC name of [(Z)-3-amino-2-[amino(methyl)amino]-3-[5-cyclohexyloxy-6-(methoxymethyl)-2-pyridinyl]prop-2-enyl] N-(cyclobutylmethyl)-N-methylcarbamate;methanol (CID 145423922) is [(Z)-3-amino-2-[amino(methyl)amino]-3-[5-cyclohexyloxy-6-(methoxymethyl)-2-pyridinyl]prop-2-enyl] N-(cyclobutylmethyl)-N-methylcarbamate;methanol.

What is the SMILES notation for [(Z)-3-amino-2-[amino(methyl)amino]-3-[5-cyclohexyloxy-6-(methoxymethyl)-2-pyridinyl]prop-2-enyl] N-(cyclobutylmethyl)-N-methylcarbamate;methanol?

The canonical SMILES for [(Z)-3-amino-2-[amino(methyl)amino]-3-[5-cyclohexyloxy-6-(methoxymethyl)-2-pyridinyl]prop-2-enyl] N-(cyclobutylmethyl)-N-methylcarbamate;methanol is CO.COCc1nc(/C(N)=C(\COC(=O)N(C)CC2CCC2)N(C)N)ccc1OC1CCCCC1.

What is the InChIKey of [(Z)-3-amino-2-[amino(methyl)amino]-3-[5-cyclohexyloxy-6-(methoxymethyl)-2-pyridinyl]prop-2-enyl] N-(cyclobutylmethyl)-N-methylcarbamate;methanol?

The InChIKey is VMOFUWUEMZKIDR-VZXGSGAOSA-N. The full InChI is InChI=1S/C24H39N5O4.CH4O/c1-28(14-17-8-7-9-17)24(30)32-16-21(29(2)26)23(25)19-12-13-22(20(27-19)15-31-3)33-18-10-5-4-6-11-18;1-2/h12-13,17-18H,4-11,14-16,25-26H2,1-3H3;2H,1H3/b23-21-;.

What are the key properties of [(Z)-3-amino-2-[amino(methyl)amino]-3-[5-cyclohexyloxy-6-(methoxymethyl)-2-pyridinyl]prop-2-enyl] N-(cyclobutylmethyl)-N-methylcarbamate;methanol?

[(Z)-3-amino-2-[amino(methyl)amino]-3-[5-cyclohexyloxy-6-(methoxymethyl)-2-pyridinyl]prop-2-enyl] N-(cyclobutylmethyl)-N-methylcarbamate;methanol has a molecular weight of 493.65 g/mol, XLogP of 2.85, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [(Z)-3-amino-2-[amino(methyl)amino]-3-[5-cyclohexyloxy-6-(methoxymethyl)-2-pyridinyl]prop-2-enyl] N-(cyclobutylmethyl)-N-methylcarbamate;methanol is sourced from PubChem (CID 145423922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).