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

C17H22Cl2N4O2 — CID 119846311

IUPAC3-amino-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide;dihydrochloride
SMILESCl.Cl.Nc1cccc(C(=O)NCc2ccnc(N3CCOCC3)c2)c1
InChIInChI=1S/C17H20N4O2.2ClH/c18-15-3-1-2-14(11-15)17(22)20-12-13-4-5-19-16(10-13)21-6-8-23-9-7-21;;/h1-5,10-11H,6-9,12,18H2,(H,20,22);2*1H
InChIKeyIOGKGQNSRNXRTJ-UHFFFAOYSA-N
MW385.30 g/mol
LogP2.27
Rot. Bonds4

About 3-amino-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide;dihydrochloride

3-amino-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide;dihydrochloride (PubChem CID 119846311) has the molecular formula C17H22Cl2N4O2 and a molecular weight of 385.30 g/mol. Its IUPAC name is 3-amino-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide;dihydrochloride
PubChem CID119846311
Molecular FormulaC17H22Cl2N4O2
Molecular Weight385.30 g/mol
Exact Mass384.11
IUPAC Name3-amino-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide;dihydrochloride
SMILESCl.Cl.Nc1cccc(C(=O)NCc2ccnc(N3CCOCC3)c2)c1
InChIInChI=1S/C17H20N4O2.2ClH/c18-15-3-1-2-14(11-15)17(22)20-12-13-4-5-19-16(10-13)21-6-8-23-9-7-21;;/h1-5,10-11H,6-9,12,18H2,(H,20,22);2*1H
InChIKeyIOGKGQNSRNXRTJ-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

3-cyano-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide
CID 32584541
2-amino-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide;dihydrochloride
CID 119946489
3-fluoro-4-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide
CID 32586803
N-(3-aminophenyl)-2-morpholin-4-ylpyridine-4-carboxamide
CID 22238130
2-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide
CID 32585275
1-amino-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119846317
2-(2-methylphenyl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]acetamide
CID 32586117
N-[(2-morpholin-4-yl-4-pyridinyl)methyl]butanamide
CID 32585359
N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(trifluoromethyl)benzamide
CID 33031482
1-methylsulfonyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 32586377
2,5-dimethyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide
CID 32585579
N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-(sulfamoylmethyl)benzamide
CID 167759916

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide;dihydrochloride?
The IUPAC name of 3-amino-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide;dihydrochloride (CID 119846311) is 3-amino-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide;dihydrochloride is Cl.Cl.Nc1cccc(C(=O)NCc2ccnc(N3CCOCC3)c2)c1.
What is the InChIKey of 3-amino-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide;dihydrochloride?
The InChIKey is IOGKGQNSRNXRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2.2ClH/c18-15-3-1-2-14(11-15)17(22)20-12-13-4-5-19-16(10-13)21-6-8-23-9-7-21;;/h1-5,10-11H,6-9,12,18H2,(H,20,22);2*1H.
What are the key properties of 3-amino-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide;dihydrochloride?
3-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 3-amino-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide;dihydrochloride is sourced from PubChem (CID 119846311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).