3-amino-N-(6-morpholin-4-yl-3-pyridinyl)benzamide;dihydrochloride

C16H20Cl2N4O2 — CID 119839707

IUPAC3-amino-N-(6-morpholin-4-yl-3-pyridinyl)benzamide;dihydrochloride
SMILESCl.Cl.Nc1cccc(C(=O)Nc2ccc(N3CCOCC3)nc2)c1
InChIInChI=1S/C16H18N4O2.2ClH/c17-13-3-1-2-12(10-13)16(21)19-14-4-5-15(18-11-14)20-6-8-22-9-7-20;;/h1-5,10-11H,6-9,17H2,(H,19,21);2*1H
InChIKeyDOVORPFOHFFCDE-UHFFFAOYSA-N
MW371.27 g/mol
LogP2.60
Rot. Bonds3

About 3-amino-N-(6-morpholin-4-yl-3-pyridinyl)benzamide;dihydrochloride

3-amino-N-(6-morpholin-4-yl-3-pyridinyl)benzamide;dihydrochloride (PubChem CID 119839707) has the molecular formula C16H20Cl2N4O2 and a molecular weight of 371.27 g/mol. Its IUPAC name is 3-amino-N-(6-morpholin-4-yl-3-pyridinyl)benzamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-(6-morpholin-4-yl-3-pyridinyl)benzamide;dihydrochloride
PubChem CID119839707
Molecular FormulaC16H20Cl2N4O2
Molecular Weight371.27 g/mol
Exact Mass370.10
IUPAC Name3-amino-N-(6-morpholin-4-yl-3-pyridinyl)benzamide;dihydrochloride
SMILESCl.Cl.Nc1cccc(C(=O)Nc2ccc(N3CCOCC3)nc2)c1
InChIInChI=1S/C16H18N4O2.2ClH/c17-13-3-1-2-12(10-13)16(21)19-14-4-5-15(18-11-14)20-6-8-22-9-7-20;;/h1-5,10-11H,6-9,17H2,(H,19,21);2*1H
InChIKeyDOVORPFOHFFCDE-UHFFFAOYSA-N
XLogP2.60
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.27
LogP ≤ 52.60
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-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 18143195
N-(6-morpholin-4-yl-3-pyridinyl)naphthalene-2-carboxamide
CID 3975213
N-(3,4-diaminophenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 86248826
N-(3-aminophenyl)-2-morpholin-4-ylpyridine-4-carboxamide
CID 22238130
2-amino-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 119946355
3-methyl-N-[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 113014298
3-(2-aminoquinazolin-6-yl)-4-methyl-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 58829523
4-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 43704451
4-(2,5-dioxopyrrolidin-1-yl)-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 18140140
3-amino-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide;dihydrochloride
CID 119846311
N-(4-iodophenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 17489612
3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 34444486

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(6-morpholin-4-yl-3-pyridinyl)benzamide;dihydrochloride?
The IUPAC name of 3-amino-N-(6-morpholin-4-yl-3-pyridinyl)benzamide;dihydrochloride (CID 119839707) is 3-amino-N-(6-morpholin-4-yl-3-pyridinyl)benzamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-(6-morpholin-4-yl-3-pyridinyl)benzamide;dihydrochloride?
The canonical SMILES for 3-amino-N-(6-morpholin-4-yl-3-pyridinyl)benzamide;dihydrochloride is Cl.Cl.Nc1cccc(C(=O)Nc2ccc(N3CCOCC3)nc2)c1.
What is the InChIKey of 3-amino-N-(6-morpholin-4-yl-3-pyridinyl)benzamide;dihydrochloride?
The InChIKey is DOVORPFOHFFCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2.2ClH/c17-13-3-1-2-12(10-13)16(21)19-14-4-5-15(18-11-14)20-6-8-22-9-7-20;;/h1-5,10-11H,6-9,17H2,(H,19,21);2*1H.
What are the key properties of 3-amino-N-(6-morpholin-4-yl-3-pyridinyl)benzamide;dihydrochloride?
3-amino-N-(6-morpholin-4-yl-3-pyridinyl)benzamide;dihydrochloride has a molecular weight of 371.27 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(6-morpholin-4-yl-3-pyridinyl)benzamide;dihydrochloride is sourced from PubChem (CID 119839707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).