2-amino-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide;dihydrochloride

C17H22Cl2N4O2 — CID 119946489

IUPAC2-amino-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide;dihydrochloride
SMILESCl.Cl.Nc1ccccc1C(=O)NCc1ccnc(N2CCOCC2)c1
InChIInChI=1S/C17H20N4O2.2ClH/c18-15-4-2-1-3-14(15)17(22)20-12-13-5-6-19-16(11-13)21-7-9-23-10-8-21;;/h1-6,11H,7-10,12,18H2,(H,20,22);2*1H
InChIKeyZWWREBDCKGUMEL-UHFFFAOYSA-N
MW385.30 g/mol
LogP2.27
Rot. Bonds4

About 2-amino-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide;dihydrochloride

2-amino-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide;dihydrochloride (PubChem CID 119946489) has the molecular formula C17H22Cl2N4O2 and a molecular weight of 385.30 g/mol. Its IUPAC name is 2-amino-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide;dihydrochloride
PubChem CID119946489
Molecular FormulaC17H22Cl2N4O2
Molecular Weight385.30 g/mol
Exact Mass384.11
IUPAC Name2-amino-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide;dihydrochloride
SMILESCl.Cl.Nc1ccccc1C(=O)NCc1ccnc(N2CCOCC2)c1
InChIInChI=1S/C17H20N4O2.2ClH/c18-15-4-2-1-3-14(15)17(22)20-12-13-5-6-19-16(11-13)21-7-9-23-10-8-21;;/h1-6,11H,7-10,12,18H2,(H,20,22);2*1H
InChIKeyZWWREBDCKGUMEL-UHFFFAOYSA-N
XLogP2.27
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.30
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]benzamide;dihydrochloride
CID 119946399
2-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 119946403
2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide
CID 119947480
N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(trifluoromethyl)benzamide
CID 33031482
3-amino-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide;dihydrochloride
CID 119846311
N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-phenylsulfanylpyridine-3-carboxamide
CID 32587833
2,5-dimethyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide
CID 32585579
2-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide
CID 32585275
2-(2-methylphenyl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]acetamide
CID 32586117
2-methoxy-N-[3-[(2-morpholin-4-yl-4-pyridinyl)methylamino]-3-oxopropyl]benzamide
CID 32584361
5-ethyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1-phenylpyrazole-4-carboxamide
CID 32588419
1-amino-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119846317

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide;dihydrochloride?
The IUPAC name of 2-amino-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide;dihydrochloride (CID 119946489) is 2-amino-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide;dihydrochloride is Cl.Cl.Nc1ccccc1C(=O)NCc1ccnc(N2CCOCC2)c1.
What is the InChIKey of 2-amino-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide;dihydrochloride?
The InChIKey is ZWWREBDCKGUMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2.2ClH/c18-15-4-2-1-3-14(15)17(22)20-12-13-5-6-19-16(11-13)21-7-9-23-10-8-21;;/h1-6,11H,7-10,12,18H2,(H,20,22);2*1H.
What are the key properties of 2-amino-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide;dihydrochloride?
2-amino-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide;dihydrochloride has a molecular weight of 385.30 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide;dihydrochloride is sourced from PubChem (CID 119946489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).