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

C23H37N7O3 — CID 167298601

IUPAC(Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-N'-[5-(1-propoxyethyl)-1,2,4-oxadiazol-3-yl]prop-1-ene-1,3-diamine
SMILESCCCOC(C)c1nc(NC/C(=C(/N)c2ccc(OC3CCCCC3)c(C)n2)N(C)N)no1
InChIInChI=1S/C23H37N7O3/c1-5-13-31-16(3)22-28-23(29-33-22)26-14-19(30(4)25)21(24)18-11-12-20(15(2)27-18)32-17-9-7-6-8-10-17/h11-12,16-17H,5-10,13-14,24-25H2,1-4H3,(H,26,29)/b21-19-
InChIKeyXELFVELCXVAYJZ-VZCXRCSSSA-N
MW459.60 g/mol
LogP3.52
Rot. Bonds11

About (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-N'-[5-(1-propoxyethyl)-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-(1-propoxyethyl)-1,2,4-oxadiazol-3-yl]prop-1-ene-1,3-diamine (PubChem CID 167298601) has the molecular formula C23H37N7O3 and a molecular weight of 459.60 g/mol. Its IUPAC name is (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-N'-[5-(1-propoxyethyl)-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-(1-propoxyethyl)-1,2,4-oxadiazol-3-yl]prop-1-ene-1,3-diamine
PubChem CID167298601
Molecular FormulaC23H37N7O3
Molecular Weight459.60 g/mol
Exact Mass459.30
IUPAC Name(Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-N'-[5-(1-propoxyethyl)-1,2,4-oxadiazol-3-yl]prop-1-ene-1,3-diamine
SMILESCCCOC(C)c1nc(NC/C(=C(/N)c2ccc(OC3CCCCC3)c(C)n2)N(C)N)no1
InChIInChI=1S/C23H37N7O3/c1-5-13-31-16(3)22-28-23(29-33-22)26-14-19(30(4)25)21(24)18-11-12-20(15(2)27-18)32-17-9-7-6-8-10-17/h11-12,16-17H,5-10,13-14,24-25H2,1-4H3,(H,26,29)/b21-19-
InChIKeyXELFVELCXVAYJZ-VZCXRCSSSA-N
XLogP3.52
TPSA137.58 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.60
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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-(1-propoxyethyl)-1,2,4-oxadiazol-3-yl]prop-1-ene-1,3-diamine with MolForge

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Related Compounds

(Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-N'-(5-pentan-2-yl-1,2,4-oxadiazol-3-yl)prop-1-ene-1,3-diamine
CID 167298633
(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
(Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-N'-(5-phenyl-1,2,4-oxadiazol-3-yl)prop-1-ene-1,3-diamine
CID 167298766
(Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-N'-(3-propan-2-yl-1,2-oxazol-5-yl)prop-1-ene-1,3-diamine
CID 167298794
(Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-N'-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)prop-1-ene-1,3-diamine
CID 167298312
(Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-N'-[5-(4,4,4-trifluorobutyl)-1,2,4-oxadiazol-3-yl]prop-1-ene-1,3-diamine
CID 167298560
3-[(Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-6-methyl-2-pyridinyl)prop-2-enyl]-1-methyl-1-(3-methylbutan-2-yl)urea
CID 166804321
(Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-N'-[4-(1-methylcyclopropyl)-1,3,5-triazin-2-yl]prop-1-ene-1,3-diamine
CID 167262674
butan-2-yl N-[(Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-6-methyl-2-pyridinyl)prop-2-enyl]carbamate
CID 166804323
(Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-N'-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]prop-1-ene-1,3-diamine
CID 167298433
(Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-N'-(4-phenyl-1,3,5-triazin-2-yl)prop-1-ene-1,3-diamine
CID 167262322
methyl N-[(Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-6-methyl-2-pyridinyl)prop-2-enyl]carbamate
CID 166804155

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-N'-[5-(1-propoxyethyl)-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-(1-propoxyethyl)-1,2,4-oxadiazol-3-yl]prop-1-ene-1,3-diamine (CID 167298601) is (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-N'-[5-(1-propoxyethyl)-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-(1-propoxyethyl)-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-(1-propoxyethyl)-1,2,4-oxadiazol-3-yl]prop-1-ene-1,3-diamine is CCCOC(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-(1-propoxyethyl)-1,2,4-oxadiazol-3-yl]prop-1-ene-1,3-diamine?
The InChIKey is XELFVELCXVAYJZ-VZCXRCSSSA-N. The full InChI is InChI=1S/C23H37N7O3/c1-5-13-31-16(3)22-28-23(29-33-22)26-14-19(30(4)25)21(24)18-11-12-20(15(2)27-18)32-17-9-7-6-8-10-17/h11-12,16-17H,5-10,13-14,24-25H2,1-4H3,(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-(1-propoxyethyl)-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-(1-propoxyethyl)-1,2,4-oxadiazol-3-yl]prop-1-ene-1,3-diamine has a molecular weight of 459.60 g/mol, XLogP of 3.52, 11 rotatable bonds, 3 hydrogen bond donors, and 10 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-(1-propoxyethyl)-1,2,4-oxadiazol-3-yl]prop-1-ene-1,3-diamine is sourced from PubChem (CID 167298601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).