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

C21H31N7O2 — CID 167298573

IUPAC(Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-N'-[5-(cyclopropylmethyl)-1,3,4-oxadiazol-2-yl]ethene-1,2-diamine
SMILESCc1nc(/C(N)=C(\Nc2nnc(CC3CC3)o2)N(C)N)ccc1OC1CCCCC1
InChIInChI=1S/C21H31N7O2/c1-13-17(29-15-6-4-3-5-7-15)11-10-16(24-13)19(22)20(28(2)23)25-21-27-26-18(30-21)12-14-8-9-14/h10-11,14-15H,3-9,12,22-23H2,1-2H3,(H,25,27)/b20-19-
InChIKeyBSPSGTHOKJXMBF-VXPUYCOJSA-N
MW413.53 g/mol
LogP2.94
Rot. Bonds8

About (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-N'-[5-(cyclopropylmethyl)-1,3,4-oxadiazol-2-yl]ethene-1,2-diamine

(Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-N'-[5-(cyclopropylmethyl)-1,3,4-oxadiazol-2-yl]ethene-1,2-diamine (PubChem CID 167298573) has the molecular formula C21H31N7O2 and a molecular weight of 413.53 g/mol. Its IUPAC name is (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-N'-[5-(cyclopropylmethyl)-1,3,4-oxadiazol-2-yl]ethene-1,2-diamine.

Molecular Properties

Compound Name(Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-N'-[5-(cyclopropylmethyl)-1,3,4-oxadiazol-2-yl]ethene-1,2-diamine
PubChem CID167298573
Molecular FormulaC21H31N7O2
Molecular Weight413.53 g/mol
Exact Mass413.25
IUPAC Name(Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-N'-[5-(cyclopropylmethyl)-1,3,4-oxadiazol-2-yl]ethene-1,2-diamine
SMILESCc1nc(/C(N)=C(\Nc2nnc(CC3CC3)o2)N(C)N)ccc1OC1CCCCC1
InChIInChI=1S/C21H31N7O2/c1-13-17(29-15-6-4-3-5-7-15)11-10-16(24-13)19(22)20(28(2)23)25-21-27-26-18(30-21)12-14-8-9-14/h10-11,14-15H,3-9,12,22-23H2,1-2H3,(H,25,27)/b20-19-
InChIKeyBSPSGTHOKJXMBF-VXPUYCOJSA-N
XLogP2.94
TPSA128.35 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.53
LogP ≤ 52.94
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-(cyclopropylmethyl)-1,3,4-oxadiazol-2-yl]ethene-1,2-diamine with MolForge

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Related Compounds

(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)-5-amino-4-[amino(methyl)amino]-5-(5-cyclohexyloxy-6-methyl-2-pyridinyl)pent-4-en-1-ol
CID 154936315
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)-N'-[cyclopentylmethyl(methyl)amino]sulfanylprop-1-ene-1,3-diamine
CID 166804398
(Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-[3-(cyclopropylmethyl)-2,3-dihydro-1,2,4-oxadiazol-5-yl]prop-1-en-1-amine
CID 167298638
[(Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-6-methyl-2-pyridinyl)prop-2-enyl] N-(cyclobutylmethyl)carbamate;formic acid
CID 145423765
(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
(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)-3-(2H-tetrazol-5-yl)prop-1-en-1-amine
CID 167298819
N'-[amino-[(Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-6-methyl-2-pyridinyl)prop-2-enyl]amino]cyclopropanecarboximidamide
CID 167298922
3-methoxypropyl N-[(Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-6-methyl-2-pyridinyl)prop-2-enyl]carbamate
CID 166804132
(Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-[[5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazolidin-3-ylidene]amino]prop-1-en-1-amine
CID 167298630

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-N'-[5-(cyclopropylmethyl)-1,3,4-oxadiazol-2-yl]ethene-1,2-diamine?
The IUPAC name of (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-N'-[5-(cyclopropylmethyl)-1,3,4-oxadiazol-2-yl]ethene-1,2-diamine (CID 167298573) is (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-N'-[5-(cyclopropylmethyl)-1,3,4-oxadiazol-2-yl]ethene-1,2-diamine.
What is the SMILES notation for (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-N'-[5-(cyclopropylmethyl)-1,3,4-oxadiazol-2-yl]ethene-1,2-diamine?
The canonical SMILES for (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-N'-[5-(cyclopropylmethyl)-1,3,4-oxadiazol-2-yl]ethene-1,2-diamine is Cc1nc(/C(N)=C(\Nc2nnc(CC3CC3)o2)N(C)N)ccc1OC1CCCCC1.
What is the InChIKey of (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-N'-[5-(cyclopropylmethyl)-1,3,4-oxadiazol-2-yl]ethene-1,2-diamine?
The InChIKey is BSPSGTHOKJXMBF-VXPUYCOJSA-N. The full InChI is InChI=1S/C21H31N7O2/c1-13-17(29-15-6-4-3-5-7-15)11-10-16(24-13)19(22)20(28(2)23)25-21-27-26-18(30-21)12-14-8-9-14/h10-11,14-15H,3-9,12,22-23H2,1-2H3,(H,25,27)/b20-19-.
What are the key properties of (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-N'-[5-(cyclopropylmethyl)-1,3,4-oxadiazol-2-yl]ethene-1,2-diamine?
(Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-N'-[5-(cyclopropylmethyl)-1,3,4-oxadiazol-2-yl]ethene-1,2-diamine has a molecular weight of 413.53 g/mol, XLogP of 2.94, 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-(cyclopropylmethyl)-1,3,4-oxadiazol-2-yl]ethene-1,2-diamine is sourced from PubChem (CID 167298573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).