7-[(2-amino-4-pyridinyl)oxy]-N-(3-tert-butylphenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide;N-(3-tert-butylphenyl)-7-[[2-(3-chloropropylcarbamoylamino)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;N-(3-tert-butylphenyl)-7-[[2-(2-oxo-1,3-diazinan-1-yl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;1-chloro-3-isocyanatopropane

C90H104Cl2N12O9 — CID 157173656

IUPAC7-[(2-amino-4-pyridinyl)oxy]-N-(3-tert-butylphenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide;N-(3-tert-butylphenyl)-7-[[2-(3-chloropropylcarbamoylamino)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;N-(3-tert-butylphenyl)-7-[[2-(2-oxo-1,3-diazinan-1-yl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;1-chloro-3-isocyanatopropane
SMILESCC(C)(C)c1cccc(NC(=O)C2CCc3ccc(Oc4ccnc(N)c4)cc3C2)c1.CC(C)(C)c1cccc(NC(=O)C2CCc3ccc(Oc4ccnc(N5CCCNC5=O)c4)cc3C2)c1.CC(C)(C)c1cccc(NC(=O)C2CCc3ccc(Oc4ccnc(NC(=O)NCCCCl)c4)cc3C2)c1.O=C=NCCCCl
InChIInChI=1S/C30H35ClN4O3.C30H34N4O3.C26H29N3O2.C4H6ClNO/c1-30(2,3)23-6-4-7-24(18-23)34-28(36)21-9-8-20-10-11-25(17-22(20)16-21)38-26-12-15-32-27(19-26)35-29(37)33-14-5-13-31;1-30(2,3)23-6-4-7-24(18-23)33-28(35)21-9-8-20-10-11-25(17-22(20)16-21)37-26-12-14-31-27(19-26)34-15-5-13-32-29(34)36;1-26(2,3)20-5-4-6-21(15-20)29-25(30)18-8-7-17-9-10-22(14-19(17)13-18)31-23-11-12-28-24(27)16-23;5-2-1-3-6-4-7/h4,6-7,10-12,15,17-19,21H,5,8-9,13-14,16H2,1-3H3,(H,34,36)(H2,32,33,35,37);4,6-7,10-12,14,17-19,21H,5,8-9,13,15-16H2,1-3H3,(H,32,36)(H,33,35);4-6,9-12,14-16,18H,7-8,13H2,1-3H3,(H2,27,28)(H,29,30);1-3H2
InChIKeyANTKZEMYBBKHSC-UHFFFAOYSA-N
MW1568.80 g/mol
LogP18.95
Rot. Bonds20

About 7-[(2-amino-4-pyridinyl)oxy]-N-(3-tert-butylphenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide;N-(3-tert-butylphenyl)-7-[[2-(3-chloropropylcarbamoylamino)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;N-(3-tert-butylphenyl)-7-[[2-(2-oxo-1,3-diazinan-1-yl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;1-chloro-3-isocyanatopropane

7-[(2-amino-4-pyridinyl)oxy]-N-(3-tert-butylphenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide;N-(3-tert-butylphenyl)-7-[[2-(3-chloropropylcarbamoylamino)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;N-(3-tert-butylphenyl)-7-[[2-(2-oxo-1,3-diazinan-1-yl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;1-chloro-3-isocyanatopropane (PubChem CID 157173656) has the molecular formula C90H104Cl2N12O9 and a molecular weight of 1568.80 g/mol. Its IUPAC name is 7-[(2-amino-4-pyridinyl)oxy]-N-(3-tert-butylphenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide;N-(3-tert-butylphenyl)-7-[[2-(3-chloropropylcarbamoylamino)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;N-(3-tert-butylphenyl)-7-[[2-(2-oxo-1,3-diazinan-1-yl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;1-chloro-3-isocyanatopropane.

Molecular Properties

Compound Name7-[(2-amino-4-pyridinyl)oxy]-N-(3-tert-butylphenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide;N-(3-tert-butylphenyl)-7-[[2-(3-chloropropylcarbamoylamino)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;N-(3-tert-butylphenyl)-7-[[2-(2-oxo-1,3-diazinan-1-yl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;1-chloro-3-isocyanatopropane
PubChem CID157173656
Molecular FormulaC90H104Cl2N12O9
Molecular Weight1568.80 g/mol
Exact Mass1566.74
IUPAC Name7-[(2-amino-4-pyridinyl)oxy]-N-(3-tert-butylphenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide;N-(3-tert-butylphenyl)-7-[[2-(3-chloropropylcarbamoylamino)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;N-(3-tert-butylphenyl)-7-[[2-(2-oxo-1,3-diazinan-1-yl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;1-chloro-3-isocyanatopropane
SMILESCC(C)(C)c1cccc(NC(=O)C2CCc3ccc(Oc4ccnc(N)c4)cc3C2)c1.CC(C)(C)c1cccc(NC(=O)C2CCc3ccc(Oc4ccnc(N5CCCNC5=O)c4)cc3C2)c1.CC(C)(C)c1cccc(NC(=O)C2CCc3ccc(Oc4ccnc(NC(=O)NCCCCl)c4)cc3C2)c1.O=C=NCCCCl
InChIInChI=1S/C30H35ClN4O3.C30H34N4O3.C26H29N3O2.C4H6ClNO/c1-30(2,3)23-6-4-7-24(18-23)34-28(36)21-9-8-20-10-11-25(17-22(20)16-21)38-26-12-15-32-27(19-26)35-29(37)33-14-5-13-31;1-30(2,3)23-6-4-7-24(18-23)33-28(35)21-9-8-20-10-11-25(17-22(20)16-21)37-26-12-14-31-27(19-26)34-15-5-13-32-29(34)36;1-26(2,3)20-5-4-6-21(15-20)29-25(30)18-8-7-17-9-10-22(14-19(17)13-18)31-23-11-12-28-24(27)16-23;5-2-1-3-6-4-7/h4,6-7,10-12,15,17-19,21H,5,8-9,13-14,16H2,1-3H3,(H,34,36)(H2,32,33,35,37);4,6-7,10-12,14,17-19,21H,5,8-9,13,15-16H2,1-3H3,(H,32,36)(H,33,35);4-6,9-12,14-16,18H,7-8,13H2,1-3H3,(H2,27,28)(H,29,30);1-3H2
InChIKeyANTKZEMYBBKHSC-UHFFFAOYSA-N
XLogP18.95
TPSA282.58 Ų
H-Bond Donors7
H-Bond Acceptors14
Rotatable Bonds20
Heavy Atoms113
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001568.80
LogP ≤ 518.95
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

Analyze 7-[(2-amino-4-pyridinyl)oxy]-N-(3-tert-butylphenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide;N-(3-tert-butylphenyl)-7-[[2-(3-chloropropylcarbamoylamino)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;N-(3-tert-butylphenyl)-7-[[2-(2-oxo-1,3-diazinan-1-yl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;1-chloro-3-isocyanatopropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[(2-amino-4-pyridinyl)oxy]-N-(3-tert-butylphenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide;N-(3-tert-butylphenyl)-7-[[2-(3-chloropropylcarbamoylamino)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;N-(3-tert-butylphenyl)-7-[[2-(2-oxo-1,3-diazinan-1-yl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;1-chloro-3-isocyanatopropane?
The IUPAC name of 7-[(2-amino-4-pyridinyl)oxy]-N-(3-tert-butylphenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide;N-(3-tert-butylphenyl)-7-[[2-(3-chloropropylcarbamoylamino)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;N-(3-tert-butylphenyl)-7-[[2-(2-oxo-1,3-diazinan-1-yl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;1-chloro-3-isocyanatopropane (CID 157173656) is 7-[(2-amino-4-pyridinyl)oxy]-N-(3-tert-butylphenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide;N-(3-tert-butylphenyl)-7-[[2-(3-chloropropylcarbamoylamino)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;N-(3-tert-butylphenyl)-7-[[2-(2-oxo-1,3-diazinan-1-yl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;1-chloro-3-isocyanatopropane.
What is the SMILES notation for 7-[(2-amino-4-pyridinyl)oxy]-N-(3-tert-butylphenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide;N-(3-tert-butylphenyl)-7-[[2-(3-chloropropylcarbamoylamino)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;N-(3-tert-butylphenyl)-7-[[2-(2-oxo-1,3-diazinan-1-yl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;1-chloro-3-isocyanatopropane?
The canonical SMILES for 7-[(2-amino-4-pyridinyl)oxy]-N-(3-tert-butylphenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide;N-(3-tert-butylphenyl)-7-[[2-(3-chloropropylcarbamoylamino)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;N-(3-tert-butylphenyl)-7-[[2-(2-oxo-1,3-diazinan-1-yl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;1-chloro-3-isocyanatopropane is CC(C)(C)c1cccc(NC(=O)C2CCc3ccc(Oc4ccnc(N)c4)cc3C2)c1.CC(C)(C)c1cccc(NC(=O)C2CCc3ccc(Oc4ccnc(N5CCCNC5=O)c4)cc3C2)c1.CC(C)(C)c1cccc(NC(=O)C2CCc3ccc(Oc4ccnc(NC(=O)NCCCCl)c4)cc3C2)c1.O=C=NCCCCl.
What is the InChIKey of 7-[(2-amino-4-pyridinyl)oxy]-N-(3-tert-butylphenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide;N-(3-tert-butylphenyl)-7-[[2-(3-chloropropylcarbamoylamino)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;N-(3-tert-butylphenyl)-7-[[2-(2-oxo-1,3-diazinan-1-yl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;1-chloro-3-isocyanatopropane?
The InChIKey is ANTKZEMYBBKHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35ClN4O3.C30H34N4O3.C26H29N3O2.C4H6ClNO/c1-30(2,3)23-6-4-7-24(18-23)34-28(36)21-9-8-20-10-11-25(17-22(20)16-21)38-26-12-15-32-27(19-26)35-29(37)33-14-5-13-31;1-30(2,3)23-6-4-7-24(18-23)33-28(35)21-9-8-20-10-11-25(17-22(20)16-21)37-26-12-14-31-27(19-26)34-15-5-13-32-29(34)36;1-26(2,3)20-5-4-6-21(15-20)29-25(30)18-8-7-17-9-10-22(14-19(17)13-18)31-23-11-12-28-24(27)16-23;5-2-1-3-6-4-7/h4,6-7,10-12,15,17-19,21H,5,8-9,13-14,16H2,1-3H3,(H,34,36)(H2,32,33,35,37);4,6-7,10-12,14,17-19,21H,5,8-9,13,15-16H2,1-3H3,(H,32,36)(H,33,35);4-6,9-12,14-16,18H,7-8,13H2,1-3H3,(H2,27,28)(H,29,30);1-3H2.
What are the key properties of 7-[(2-amino-4-pyridinyl)oxy]-N-(3-tert-butylphenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide;N-(3-tert-butylphenyl)-7-[[2-(3-chloropropylcarbamoylamino)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;N-(3-tert-butylphenyl)-7-[[2-(2-oxo-1,3-diazinan-1-yl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;1-chloro-3-isocyanatopropane?
7-[(2-amino-4-pyridinyl)oxy]-N-(3-tert-butylphenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide;N-(3-tert-butylphenyl)-7-[[2-(3-chloropropylcarbamoylamino)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;N-(3-tert-butylphenyl)-7-[[2-(2-oxo-1,3-diazinan-1-yl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;1-chloro-3-isocyanatopropane has a molecular weight of 1568.80 g/mol, XLogP of 18.95, 20 rotatable bonds, 7 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-amino-4-pyridinyl)oxy]-N-(3-tert-butylphenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide;N-(3-tert-butylphenyl)-7-[[2-(3-chloropropylcarbamoylamino)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;N-(3-tert-butylphenyl)-7-[[2-(2-oxo-1,3-diazinan-1-yl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;1-chloro-3-isocyanatopropane is sourced from PubChem (CID 157173656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).