(Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-N'-(5-pyridin-2-yl-1,3-oxazol-2-yl)prop-1-ene-1,3-diamine

C24H31N7O2 — CID 167298735

IUPAC(Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-N'-(5-pyridin-2-yl-1,3-oxazol-2-yl)prop-1-ene-1,3-diamine
SMILESCc1nc(/C(N)=C(\CNc2ncc(-c3ccccn3)o2)N(C)N)ccc1OC1CCCCC1
InChIInChI=1S/C24H31N7O2/c1-16-21(32-17-8-4-3-5-9-17)12-11-19(30-16)23(25)20(31(2)26)14-28-24-29-15-22(33-24)18-10-6-7-13-27-18/h6-7,10-13,15,17H,3-5,8-9,14,25-26H2,1-2H3,(H,28,29)/b23-20-
InChIKeyOPBMJFJPKBRZBO-ATJXCDBQSA-N
MW449.56 g/mol
LogP3.70
Rot. Bonds8

About (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-N'-(5-pyridin-2-yl-1,3-oxazol-2-yl)prop-1-ene-1,3-diamine

(Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-N'-(5-pyridin-2-yl-1,3-oxazol-2-yl)prop-1-ene-1,3-diamine (PubChem CID 167298735) has the molecular formula C24H31N7O2 and a molecular weight of 449.56 g/mol. Its IUPAC name is (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-N'-(5-pyridin-2-yl-1,3-oxazol-2-yl)prop-1-ene-1,3-diamine.

Molecular Properties

Compound Name(Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-N'-(5-pyridin-2-yl-1,3-oxazol-2-yl)prop-1-ene-1,3-diamine
PubChem CID167298735
Molecular FormulaC24H31N7O2
Molecular Weight449.56 g/mol
Exact Mass449.25
IUPAC Name(Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-N'-(5-pyridin-2-yl-1,3-oxazol-2-yl)prop-1-ene-1,3-diamine
SMILESCc1nc(/C(N)=C(\CNc2ncc(-c3ccccn3)o2)N(C)N)ccc1OC1CCCCC1
InChIInChI=1S/C24H31N7O2/c1-16-21(32-17-8-4-3-5-9-17)12-11-19(30-16)23(25)20(31(2)26)14-28-24-29-15-22(33-24)18-10-6-7-13-27-18/h6-7,10-13,15,17H,3-5,8-9,14,25-26H2,1-2H3,(H,28,29)/b23-20-
InChIKeyOPBMJFJPKBRZBO-ATJXCDBQSA-N
XLogP3.70
TPSA128.35 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 53.70
H-Bond Donors ≤ 53
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)-N'-(5-pyridin-2-yl-1,3-oxazol-2-yl)prop-1-ene-1,3-diamine 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)-N'-(5-pyridin-2-yl-1,3-oxazol-2-yl)prop-1-ene-1,3-diamine?
The IUPAC name of (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-N'-(5-pyridin-2-yl-1,3-oxazol-2-yl)prop-1-ene-1,3-diamine (CID 167298735) is (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-N'-(5-pyridin-2-yl-1,3-oxazol-2-yl)prop-1-ene-1,3-diamine.
What is the SMILES notation for (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-N'-(5-pyridin-2-yl-1,3-oxazol-2-yl)prop-1-ene-1,3-diamine?
The canonical SMILES for (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-N'-(5-pyridin-2-yl-1,3-oxazol-2-yl)prop-1-ene-1,3-diamine is Cc1nc(/C(N)=C(\CNc2ncc(-c3ccccn3)o2)N(C)N)ccc1OC1CCCCC1.
What is the InChIKey of (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-N'-(5-pyridin-2-yl-1,3-oxazol-2-yl)prop-1-ene-1,3-diamine?
The InChIKey is OPBMJFJPKBRZBO-ATJXCDBQSA-N. The full InChI is InChI=1S/C24H31N7O2/c1-16-21(32-17-8-4-3-5-9-17)12-11-19(30-16)23(25)20(31(2)26)14-28-24-29-15-22(33-24)18-10-6-7-13-27-18/h6-7,10-13,15,17H,3-5,8-9,14,25-26H2,1-2H3,(H,28,29)/b23-20-.
What are the key properties of (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-N'-(5-pyridin-2-yl-1,3-oxazol-2-yl)prop-1-ene-1,3-diamine?
(Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-N'-(5-pyridin-2-yl-1,3-oxazol-2-yl)prop-1-ene-1,3-diamine has a molecular weight of 449.56 g/mol, XLogP of 3.70, 8 rotatable bonds, 3 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)-N'-(5-pyridin-2-yl-1,3-oxazol-2-yl)prop-1-ene-1,3-diamine is sourced from PubChem (CID 167298735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).