(Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-N'-(5-pent-4-en-2-yl-1,2,4-oxadiazol-3-yl)prop-1-ene-1,3-diamine

C23H35N7O2 — CID 167298869

IUPAC(Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-N'-(5-pent-4-en-2-yl-1,2,4-oxadiazol-3-yl)prop-1-ene-1,3-diamine
SMILESC=CCC(C)c1nc(NC/C(=C(/N)c2ccc(OC3CCCCC3)c(C)n2)N(C)N)no1
InChIInChI=1S/C23H35N7O2/c1-5-9-15(2)22-28-23(29-32-22)26-14-19(30(4)25)21(24)18-12-13-20(16(3)27-18)31-17-10-7-6-8-11-17/h5,12-13,15,17H,1,6-11,14,24-25H2,2-4H3,(H,26,29)/b21-19-
InChIKeyDURPQXNJNJMWPW-VZCXRCSSSA-N
MW441.58 g/mol
LogP3.71
Rot. Bonds10

About (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-N'-(5-pent-4-en-2-yl-1,2,4-oxadiazol-3-yl)prop-1-ene-1,3-diamine

(Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-N'-(5-pent-4-en-2-yl-1,2,4-oxadiazol-3-yl)prop-1-ene-1,3-diamine (PubChem CID 167298869) has the molecular formula C23H35N7O2 and a molecular weight of 441.58 g/mol. Its IUPAC name is (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-N'-(5-pent-4-en-2-yl-1,2,4-oxadiazol-3-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-pent-4-en-2-yl-1,2,4-oxadiazol-3-yl)prop-1-ene-1,3-diamine
PubChem CID167298869
Molecular FormulaC23H35N7O2
Molecular Weight441.58 g/mol
Exact Mass441.29
IUPAC Name(Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-N'-(5-pent-4-en-2-yl-1,2,4-oxadiazol-3-yl)prop-1-ene-1,3-diamine
SMILESC=CCC(C)c1nc(NC/C(=C(/N)c2ccc(OC3CCCCC3)c(C)n2)N(C)N)no1
InChIInChI=1S/C23H35N7O2/c1-5-9-15(2)22-28-23(29-32-22)26-14-19(30(4)25)21(24)18-12-13-20(16(3)27-18)31-17-10-7-6-8-11-17/h5,12-13,15,17H,1,6-11,14,24-25H2,2-4H3,(H,26,29)/b21-19-
InChIKeyDURPQXNJNJMWPW-VZCXRCSSSA-N
XLogP3.71
TPSA128.35 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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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-pent-4-en-2-yl-1,2,4-oxadiazol-3-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-pent-4-en-2-yl-1,2,4-oxadiazol-3-yl)prop-1-ene-1,3-diamine (CID 167298869) is (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-N'-(5-pent-4-en-2-yl-1,2,4-oxadiazol-3-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-pent-4-en-2-yl-1,2,4-oxadiazol-3-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-pent-4-en-2-yl-1,2,4-oxadiazol-3-yl)prop-1-ene-1,3-diamine is C=CCC(C)c1nc(NC/C(=C(/N)c2ccc(OC3CCCCC3)c(C)n2)N(C)N)no1.
What is the InChIKey of (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-N'-(5-pent-4-en-2-yl-1,2,4-oxadiazol-3-yl)prop-1-ene-1,3-diamine?
The InChIKey is DURPQXNJNJMWPW-VZCXRCSSSA-N. The full InChI is InChI=1S/C23H35N7O2/c1-5-9-15(2)22-28-23(29-32-22)26-14-19(30(4)25)21(24)18-12-13-20(16(3)27-18)31-17-10-7-6-8-11-17/h5,12-13,15,17H,1,6-11,14,24-25H2,2-4H3,(H,26,29)/b21-19-.
What are the key properties of (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-N'-(5-pent-4-en-2-yl-1,2,4-oxadiazol-3-yl)prop-1-ene-1,3-diamine?
(Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-N'-(5-pent-4-en-2-yl-1,2,4-oxadiazol-3-yl)prop-1-ene-1,3-diamine has a molecular weight of 441.58 g/mol, XLogP of 3.71, 10 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-pent-4-en-2-yl-1,2,4-oxadiazol-3-yl)prop-1-ene-1,3-diamine is sourced from PubChem (CID 167298869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).