4-(2-piperazin-1-ylpyridine-4-carboximidoyl)-6-propan-2-yloxy-N-tritylpyridin-3-amine

C37H38N6O — CID 144795223

IUPAC4-(2-piperazin-1-ylpyridine-4-carboximidoyl)-6-propan-2-yloxy-N-tritylpyridin-3-amine
SMILES[H]/N=C(\c1ccnc(N2CCNCC2)c1)c1cc(OC(C)C)ncc1NC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H38N6O/c1-27(2)44-35-25-32(36(38)28-18-19-40-34(24-28)43-22-20-39-21-23-43)33(26-41-35)42-37(29-12-6-3-7-13-29,30-14-8-4-9-15-30)31-16-10-5-11-17-31/h3-19,24-27,38-39,42H,20-23H2,1-2H3/b38-36+
InChIKeyZWYABSONVPZULU-BSKJHSHCSA-N
MW582.75 g/mol
LogP6.49
Rot. Bonds10

About 4-(2-piperazin-1-ylpyridine-4-carboximidoyl)-6-propan-2-yloxy-N-tritylpyridin-3-amine

4-(2-piperazin-1-ylpyridine-4-carboximidoyl)-6-propan-2-yloxy-N-tritylpyridin-3-amine (PubChem CID 144795223) has the molecular formula C37H38N6O and a molecular weight of 582.75 g/mol. Its IUPAC name is 4-(2-piperazin-1-ylpyridine-4-carboximidoyl)-6-propan-2-yloxy-N-tritylpyridin-3-amine.

Molecular Properties

Compound Name4-(2-piperazin-1-ylpyridine-4-carboximidoyl)-6-propan-2-yloxy-N-tritylpyridin-3-amine
PubChem CID144795223
Molecular FormulaC37H38N6O
Molecular Weight582.75 g/mol
Exact Mass582.31
IUPAC Name4-(2-piperazin-1-ylpyridine-4-carboximidoyl)-6-propan-2-yloxy-N-tritylpyridin-3-amine
SMILES[H]/N=C(\c1ccnc(N2CCNCC2)c1)c1cc(OC(C)C)ncc1NC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H38N6O/c1-27(2)44-35-25-32(36(38)28-18-19-40-34(24-28)43-22-20-39-21-23-43)33(26-41-35)42-37(29-12-6-3-7-13-29,30-14-8-4-9-15-30)31-16-10-5-11-17-31/h3-19,24-27,38-39,42H,20-23H2,1-2H3/b38-36+
InChIKeyZWYABSONVPZULU-BSKJHSHCSA-N
XLogP6.49
TPSA86.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.75
LogP ≤ 56.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(2-methoxyphenyl)pyridin-2-amine
CID 44521019
4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(2-morpholin-4-ylphenyl)pyridin-2-amine
CID 44521020
4-(5,6-Dimethyl-2-pyridin-2-yl-pyridin-3-yl)oxy-N-(3-methoxyphenyl)pyridin-2-amine
CID 44521021
4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(3-morpholin-4-ylphenyl)pyridin-2-amine
CID 44521022
4-(5,6-Dimethyl-2-pyridin-2-yl-pyridin-3-yl)oxy-N-(4-methoxyphenyl)pyridin-2-amine
CID 44521023
4-(5,6-Dimethyl-2-pyridin-2-yl-pyridin-3-yl)oxy-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
CID 44521024
4-(5,6-Dimethyl-2-pyridin-2-yl-pyridin-3-yl)oxy-N-(4-fluorophenyl)pyridin-2-amine
CID 44521026
7-(6-methoxypyridin-3-yl)-3-(2-morpholinoethylamino)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2(1H)-one
CID 11993244
4-(cyclohexylmethyl)-6-(6-methoxypyridin-3-yl)-2-((tetrahydro-2H-pyran-4-yl)methylamino)pyrido[2,3-b]pyrazin-3(4H)-one
CID 45267764
N2-(4-(3-(piperidin-1-yl)propoxy)phenyl)-N4-(quinolin-3-yl)pyrimidine-2,4-diamine
CID 10275985
(5-Ethoxy-[3,3'']bipyridinyl-6-yl)-(6-methyl-pyridin-2-yl)-amine
CID 11232032
(5-Ethoxy-4''-methyl-[3,3'']bipyridinyl-6-yl)-(6-methyl-pyridin-2-yl)-amine
CID 11347767

Frequently Asked Questions

What is the IUPAC name of 4-(2-piperazin-1-ylpyridine-4-carboximidoyl)-6-propan-2-yloxy-N-tritylpyridin-3-amine?
The IUPAC name of 4-(2-piperazin-1-ylpyridine-4-carboximidoyl)-6-propan-2-yloxy-N-tritylpyridin-3-amine (CID 144795223) is 4-(2-piperazin-1-ylpyridine-4-carboximidoyl)-6-propan-2-yloxy-N-tritylpyridin-3-amine.
What is the SMILES notation for 4-(2-piperazin-1-ylpyridine-4-carboximidoyl)-6-propan-2-yloxy-N-tritylpyridin-3-amine?
The canonical SMILES for 4-(2-piperazin-1-ylpyridine-4-carboximidoyl)-6-propan-2-yloxy-N-tritylpyridin-3-amine is [H]/N=C(\c1ccnc(N2CCNCC2)c1)c1cc(OC(C)C)ncc1NC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-(2-piperazin-1-ylpyridine-4-carboximidoyl)-6-propan-2-yloxy-N-tritylpyridin-3-amine?
The InChIKey is ZWYABSONVPZULU-BSKJHSHCSA-N. The full InChI is InChI=1S/C37H38N6O/c1-27(2)44-35-25-32(36(38)28-18-19-40-34(24-28)43-22-20-39-21-23-43)33(26-41-35)42-37(29-12-6-3-7-13-29,30-14-8-4-9-15-30)31-16-10-5-11-17-31/h3-19,24-27,38-39,42H,20-23H2,1-2H3/b38-36+.
What are the key properties of 4-(2-piperazin-1-ylpyridine-4-carboximidoyl)-6-propan-2-yloxy-N-tritylpyridin-3-amine?
4-(2-piperazin-1-ylpyridine-4-carboximidoyl)-6-propan-2-yloxy-N-tritylpyridin-3-amine has a molecular weight of 582.75 g/mol, XLogP of 6.49, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-piperazin-1-ylpyridine-4-carboximidoyl)-6-propan-2-yloxy-N-tritylpyridin-3-amine is sourced from PubChem (CID 144795223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).