N-[6-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-3-pyridinyl]benzamide;hydrochloride

C19H23ClN4O — CID 68567840

IUPACN-[6-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-3-pyridinyl]benzamide;hydrochloride
SMILESCl.O=C(Nc1ccc(N2CCN3CCC2CC3)nc1)c1ccccc1
InChIInChI=1S/C19H22N4O.ClH/c24-19(15-4-2-1-3-5-15)21-16-6-7-18(20-14-16)23-13-12-22-10-8-17(23)9-11-22;/h1-7,14,17H,8-13H2,(H,21,24);1H
InChIKeyINBNILBROJCENU-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.04
Rot. Bonds3

About N-[6-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-3-pyridinyl]benzamide;hydrochloride

N-[6-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-3-pyridinyl]benzamide;hydrochloride (PubChem CID 68567840) has the molecular formula C19H23ClN4O and a molecular weight of 358.87 g/mol. Its IUPAC name is N-[6-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-3-pyridinyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-[6-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-3-pyridinyl]benzamide;hydrochloride
PubChem CID68567840
Molecular FormulaC19H23ClN4O
Molecular Weight358.87 g/mol
Exact Mass358.16
IUPAC NameN-[6-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-3-pyridinyl]benzamide;hydrochloride
SMILESCl.O=C(Nc1ccc(N2CCN3CCC2CC3)nc1)c1ccccc1
InChIInChI=1S/C19H22N4O.ClH/c24-19(15-4-2-1-3-5-15)21-16-6-7-18(20-14-16)23-13-12-22-10-8-17(23)9-11-22;/h1-7,14,17H,8-13H2,(H,21,24);1H
InChIKeyINBNILBROJCENU-UHFFFAOYSA-N
XLogP3.04
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)pyrimidin-5-yl]naphthalene-2-carboxamide
CID 91431398
N-[6-(2-oxo-3-phenylimidazolidin-1-yl)-3-pyridinyl]benzamide
CID 53187688
3-bromo-N-[6-(3-cyclopentyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]benzamide
CID 53187744
N-[6-(3-cyclohexyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-3-methylbenzamide
CID 53187620
N-[6-[4-(furan-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 42857358
N-[6-[4-(4-methylbenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 42849983
N-[6-(azepan-1-yl)-3-pyridinyl]-4-fluorobenzamide
CID 113015884
N-[6-(3-cyclohexyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]furan-3-carboxamide
CID 53187607
N-[6-(3-cyclopentyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]thiophene-3-carboxamide
CID 53187755
4-(benzenesulfonamido)-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 30217600
N-[6-(3-cyclohexyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-2-(trifluoromethyl)benzamide
CID 53187627
N-[6-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-3-pyridinyl]benzamide
CID 42849984

Frequently Asked Questions

What is the IUPAC name of N-[6-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-3-pyridinyl]benzamide;hydrochloride?
The IUPAC name of N-[6-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-3-pyridinyl]benzamide;hydrochloride (CID 68567840) is N-[6-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-3-pyridinyl]benzamide;hydrochloride.
What is the SMILES notation for N-[6-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-3-pyridinyl]benzamide;hydrochloride?
The canonical SMILES for N-[6-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-3-pyridinyl]benzamide;hydrochloride is Cl.O=C(Nc1ccc(N2CCN3CCC2CC3)nc1)c1ccccc1.
What is the InChIKey of N-[6-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-3-pyridinyl]benzamide;hydrochloride?
The InChIKey is INBNILBROJCENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O.ClH/c24-19(15-4-2-1-3-5-15)21-16-6-7-18(20-14-16)23-13-12-22-10-8-17(23)9-11-22;/h1-7,14,17H,8-13H2,(H,21,24);1H.
What are the key properties of N-[6-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-3-pyridinyl]benzamide;hydrochloride?
N-[6-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-3-pyridinyl]benzamide;hydrochloride has a molecular weight of 358.87 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-3-pyridinyl]benzamide;hydrochloride is sourced from PubChem (CID 68567840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).