(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

C22H32F3N7O2 — CID 167298560

IUPAC(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
SMILESCc1nc(/C(N)=C(\CNc2noc(CCCC(F)(F)F)n2)N(C)N)ccc1OC1CCCCC1
InChIInChI=1S/C22H32F3N7O2/c1-14-18(33-15-7-4-3-5-8-15)11-10-16(29-14)20(26)17(32(2)27)13-28-21-30-19(34-31-21)9-6-12-22(23,24)25/h10-11,15H,3-9,12-13,26-27H2,1-2H3,(H,28,31)/b20-17-
InChIKeyXTHHPYLSDQGQFI-JZJYNLBNSA-N
MW483.54 g/mol
LogP3.91
Rot. Bonds10

About (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

(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 (PubChem CID 167298560) has the molecular formula C22H32F3N7O2 and a molecular weight of 483.54 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID167298560
Molecular FormulaC22H32F3N7O2
Molecular Weight483.54 g/mol
Exact Mass483.26
IUPAC Name(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
SMILESCc1nc(/C(N)=C(\CNc2noc(CCCC(F)(F)F)n2)N(C)N)ccc1OC1CCCCC1
InChIInChI=1S/C22H32F3N7O2/c1-14-18(33-15-7-4-3-5-8-15)11-10-16(29-14)20(26)17(32(2)27)13-28-21-30-19(34-31-21)9-6-12-22(23,24)25/h10-11,15H,3-9,12-13,26-27H2,1-2H3,(H,28,31)/b20-17-
InChIKeyXTHHPYLSDQGQFI-JZJYNLBNSA-N
XLogP3.91
TPSA128.35 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.54
LogP ≤ 53.91
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-(4,4,4-trifluorobutyl)-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-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'-(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-(1-propoxyethyl)-1,2,4-oxadiazol-3-yl]prop-1-ene-1,3-diamine
CID 167298601
(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'-(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'-[4-(1-methylcyclopropyl)-1,3,5-triazin-2-yl]prop-1-ene-1,3-diamine
CID 167262674
(Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-N'-[5-(cyclopropylmethyl)-1,3,4-oxadiazol-2-yl]prop-1-ene-1,3-diamine
CID 167298559
(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
(Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)oxy]prop-1-en-1-amine
CID 167298872
(Z)-2-[amino(methyl)amino]-3-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)prop-1-en-1-amine
CID 167298658

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1nc(/C(N)=C(\CNc2noc(CCCC(F)(F)F)n2)N(C)N)ccc1OC1CCCCC1.
What is the InChIKey of (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?
The InChIKey is XTHHPYLSDQGQFI-JZJYNLBNSA-N. The full InChI is InChI=1S/C22H32F3N7O2/c1-14-18(33-15-7-4-3-5-8-15)11-10-16(29-14)20(26)17(32(2)27)13-28-21-30-19(34-31-21)9-6-12-22(23,24)25/h10-11,15H,3-9,12-13,26-27H2,1-2H3,(H,28,31)/b20-17-.
What are the key properties of (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?
(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 has a molecular weight of 483.54 g/mol, XLogP of 3.91, 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-(4,4,4-trifluorobutyl)-1,2,4-oxadiazol-3-yl]prop-1-ene-1,3-diamine is sourced from PubChem (CID 167298560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).