N-(2-aminophenyl)-3-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]propanamide;dihydrochloride

C19H27Cl2N5O2 — CID 11971552

IUPACN-(2-aminophenyl)-3-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]propanamide;dihydrochloride
SMILESCOc1cccc(N2CCN(CCC(=O)Nc3ccccc3N)CC2)n1.Cl.Cl
InChIInChI=1S/C19H25N5O2.2ClH/c1-26-19-8-4-7-17(22-19)24-13-11-23(12-14-24)10-9-18(25)21-16-6-3-2-5-15(16)20;;/h2-8H,9-14,20H2,1H3,(H,21,25);2*1H
InChIKeyXRGMNGFNWBAUAG-UHFFFAOYSA-N
MW428.36 g/mol
LogP2.67
Rot. Bonds6

About N-(2-aminophenyl)-3-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]propanamide;dihydrochloride

N-(2-aminophenyl)-3-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]propanamide;dihydrochloride (PubChem CID 11971552) has the molecular formula C19H27Cl2N5O2 and a molecular weight of 428.36 g/mol. Its IUPAC name is N-(2-aminophenyl)-3-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]propanamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-aminophenyl)-3-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]propanamide;dihydrochloride
PubChem CID11971552
Molecular FormulaC19H27Cl2N5O2
Molecular Weight428.36 g/mol
Exact Mass427.15
IUPAC NameN-(2-aminophenyl)-3-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]propanamide;dihydrochloride
SMILESCOc1cccc(N2CCN(CCC(=O)Nc3ccccc3N)CC2)n1.Cl.Cl
InChIInChI=1S/C19H25N5O2.2ClH/c1-26-19-8-4-7-17(22-19)24-13-11-23(12-14-24)10-9-18(25)21-16-6-3-2-5-15(16)20;;/h2-8H,9-14,20H2,1H3,(H,21,25);2*1H
InChIKeyXRGMNGFNWBAUAG-UHFFFAOYSA-N
XLogP2.67
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.36
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-3-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]propanamide;dihydrochloride?
The IUPAC name of N-(2-aminophenyl)-3-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]propanamide;dihydrochloride (CID 11971552) is N-(2-aminophenyl)-3-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]propanamide;dihydrochloride.
What is the SMILES notation for N-(2-aminophenyl)-3-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]propanamide;dihydrochloride?
The canonical SMILES for N-(2-aminophenyl)-3-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]propanamide;dihydrochloride is COc1cccc(N2CCN(CCC(=O)Nc3ccccc3N)CC2)n1.Cl.Cl.
What is the InChIKey of N-(2-aminophenyl)-3-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]propanamide;dihydrochloride?
The InChIKey is XRGMNGFNWBAUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2.2ClH/c1-26-19-8-4-7-17(22-19)24-13-11-23(12-14-24)10-9-18(25)21-16-6-3-2-5-15(16)20;;/h2-8H,9-14,20H2,1H3,(H,21,25);2*1H.
What are the key properties of N-(2-aminophenyl)-3-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]propanamide;dihydrochloride?
N-(2-aminophenyl)-3-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]propanamide;dihydrochloride has a molecular weight of 428.36 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-3-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]propanamide;dihydrochloride is sourced from PubChem (CID 11971552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).