2-(4-aminophenyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]acetamide;dihydrochloride

C18H24Cl2N4O2 — CID 119839439

IUPAC2-(4-aminophenyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]acetamide;dihydrochloride
SMILESCl.Cl.Nc1ccc(CC(=O)NCc2ccc(N3CCOCC3)nc2)cc1
InChIInChI=1S/C18H22N4O2.2ClH/c19-16-4-1-14(2-5-16)11-18(23)21-13-15-3-6-17(20-12-15)22-7-9-24-10-8-22;;/h1-6,12H,7-11,13,19H2,(H,21,23);2*1H
InChIKeyCCLRDMCRKHUQAU-UHFFFAOYSA-N
MW399.32 g/mol
LogP2.20
Rot. Bonds5

About 2-(4-aminophenyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]acetamide;dihydrochloride

2-(4-aminophenyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]acetamide;dihydrochloride (PubChem CID 119839439) has the molecular formula C18H24Cl2N4O2 and a molecular weight of 399.32 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]acetamide;dihydrochloride
PubChem CID119839439
Molecular FormulaC18H24Cl2N4O2
Molecular Weight399.32 g/mol
Exact Mass398.13
IUPAC Name2-(4-aminophenyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]acetamide;dihydrochloride
SMILESCl.Cl.Nc1ccc(CC(=O)NCc2ccc(N3CCOCC3)nc2)cc1
InChIInChI=1S/C18H22N4O2.2ClH/c19-16-4-1-14(2-5-16)11-18(23)21-13-15-3-6-17(20-12-15)22-7-9-24-10-8-22;;/h1-6,12H,7-11,13,19H2,(H,21,23);2*1H
InChIKeyCCLRDMCRKHUQAU-UHFFFAOYSA-N
XLogP2.20
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.32
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]acetamide;dihydrochloride?
The IUPAC name of 2-(4-aminophenyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]acetamide;dihydrochloride (CID 119839439) is 2-(4-aminophenyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-(4-aminophenyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]acetamide;dihydrochloride?
The canonical SMILES for 2-(4-aminophenyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]acetamide;dihydrochloride is Cl.Cl.Nc1ccc(CC(=O)NCc2ccc(N3CCOCC3)nc2)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]acetamide;dihydrochloride?
The InChIKey is CCLRDMCRKHUQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2.2ClH/c19-16-4-1-14(2-5-16)11-18(23)21-13-15-3-6-17(20-12-15)22-7-9-24-10-8-22;;/h1-6,12H,7-11,13,19H2,(H,21,23);2*1H.
What are the key properties of 2-(4-aminophenyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]acetamide;dihydrochloride?
2-(4-aminophenyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]acetamide;dihydrochloride has a molecular weight of 399.32 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]acetamide;dihydrochloride is sourced from PubChem (CID 119839439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).