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

C23H30ClN9O — CID 167298674

IUPAC(Z)-2-[amino(methyl)amino]-N'-[2-(4-chlorophenyl)tetrazol-5-yl]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)prop-1-ene-1,3-diamine
SMILESCc1nc(/C(N)=C(\CNc2nnn(-c3ccc(Cl)cc3)n2)N(C)N)ccc1OC1CCCCC1
InChIInChI=1S/C23H30ClN9O/c1-15-21(34-18-6-4-3-5-7-18)13-12-19(28-15)22(25)20(32(2)26)14-27-23-29-31-33(30-23)17-10-8-16(24)9-11-17/h8-13,18H,3-7,14,25-26H2,1-2H3,(H,27,30)/b22-20-
InChIKeyVGMLUCRAQQWSMB-XDOYNYLZSA-N
MW484.01 g/mol
LogP3.28
Rot. Bonds8

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

(Z)-2-[amino(methyl)amino]-N'-[2-(4-chlorophenyl)tetrazol-5-yl]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)prop-1-ene-1,3-diamine (PubChem CID 167298674) has the molecular formula C23H30ClN9O and a molecular weight of 484.01 g/mol. Its IUPAC name is (Z)-2-[amino(methyl)amino]-N'-[2-(4-chlorophenyl)tetrazol-5-yl]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)prop-1-ene-1,3-diamine.

Molecular Properties

Compound Name(Z)-2-[amino(methyl)amino]-N'-[2-(4-chlorophenyl)tetrazol-5-yl]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)prop-1-ene-1,3-diamine
PubChem CID167298674
Molecular FormulaC23H30ClN9O
Molecular Weight484.01 g/mol
Exact Mass483.23
IUPAC Name(Z)-2-[amino(methyl)amino]-N'-[2-(4-chlorophenyl)tetrazol-5-yl]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)prop-1-ene-1,3-diamine
SMILESCc1nc(/C(N)=C(\CNc2nnn(-c3ccc(Cl)cc3)n2)N(C)N)ccc1OC1CCCCC1
InChIInChI=1S/C23H30ClN9O/c1-15-21(34-18-6-4-3-5-7-18)13-12-19(28-15)22(25)20(32(2)26)14-27-23-29-31-33(30-23)17-10-8-16(24)9-11-17/h8-13,18H,3-7,14,25-26H2,1-2H3,(H,27,30)/b22-20-
InChIKeyVGMLUCRAQQWSMB-XDOYNYLZSA-N
XLogP3.28
TPSA133.03 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.01
LogP ≤ 53.28
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'}

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Related Compounds

(Z)-2-[amino(methyl)amino]-N'-(2-benzyltetrazol-5-yl)-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)prop-1-ene-1,3-diamine
CID 167298501
(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'-(4-phenyl-1,3,5-triazin-2-yl)prop-1-ene-1,3-diamine
CID 167262322
(Z)-2-[amino(methyl)amino]-N'-(2-cyclobutyltriazol-4-yl)-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)prop-1-ene-1,3-diamine
CID 167298437
(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
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'-[2-(2-methylpropyl)triazol-4-yl]prop-1-ene-1,3-diamine
CID 167298547
(Z)-5-amino-4-[amino(methyl)amino]-5-(5-cyclohexyloxy-6-methyl-2-pyridinyl)pent-4-en-1-ol
CID 154936315
(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)-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-(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'-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)prop-1-ene-1,3-diamine
CID 167298312

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[amino(methyl)amino]-N'-[2-(4-chlorophenyl)tetrazol-5-yl]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)prop-1-ene-1,3-diamine?
The IUPAC name of (Z)-2-[amino(methyl)amino]-N'-[2-(4-chlorophenyl)tetrazol-5-yl]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)prop-1-ene-1,3-diamine (CID 167298674) is (Z)-2-[amino(methyl)amino]-N'-[2-(4-chlorophenyl)tetrazol-5-yl]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)prop-1-ene-1,3-diamine.
What is the SMILES notation for (Z)-2-[amino(methyl)amino]-N'-[2-(4-chlorophenyl)tetrazol-5-yl]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)prop-1-ene-1,3-diamine?
The canonical SMILES for (Z)-2-[amino(methyl)amino]-N'-[2-(4-chlorophenyl)tetrazol-5-yl]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)prop-1-ene-1,3-diamine is Cc1nc(/C(N)=C(\CNc2nnn(-c3ccc(Cl)cc3)n2)N(C)N)ccc1OC1CCCCC1.
What is the InChIKey of (Z)-2-[amino(methyl)amino]-N'-[2-(4-chlorophenyl)tetrazol-5-yl]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)prop-1-ene-1,3-diamine?
The InChIKey is VGMLUCRAQQWSMB-XDOYNYLZSA-N. The full InChI is InChI=1S/C23H30ClN9O/c1-15-21(34-18-6-4-3-5-7-18)13-12-19(28-15)22(25)20(32(2)26)14-27-23-29-31-33(30-23)17-10-8-16(24)9-11-17/h8-13,18H,3-7,14,25-26H2,1-2H3,(H,27,30)/b22-20-.
What are the key properties of (Z)-2-[amino(methyl)amino]-N'-[2-(4-chlorophenyl)tetrazol-5-yl]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)prop-1-ene-1,3-diamine?
(Z)-2-[amino(methyl)amino]-N'-[2-(4-chlorophenyl)tetrazol-5-yl]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)prop-1-ene-1,3-diamine has a molecular weight of 484.01 g/mol, XLogP of 3.28, 8 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]-N'-[2-(4-chlorophenyl)tetrazol-5-yl]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)prop-1-ene-1,3-diamine is sourced from PubChem (CID 167298674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).