[4-(3-amino-4-pyridinyl)phenyl]-(1,4-diazabicyclo[3.2.2]nonan-4-yl)methanone

C19H22N4O — CID 90205476

IUPAC[4-(3-amino-4-pyridinyl)phenyl]-(1,4-diazabicyclo[3.2.2]nonan-4-yl)methanone
SMILESNc1cnccc1-c1ccc(C(=O)N2CCN3CCC2CC3)cc1
InChIInChI=1S/C19H22N4O/c20-18-13-21-8-5-17(18)14-1-3-15(4-2-14)19(24)23-12-11-22-9-6-16(23)7-10-22/h1-5,8,13,16H,6-7,9-12,20H2
InChIKeyZACZWLLMIBFLOG-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.25
Rot. Bonds2

About [4-(3-amino-4-pyridinyl)phenyl]-(1,4-diazabicyclo[3.2.2]nonan-4-yl)methanone

[4-(3-amino-4-pyridinyl)phenyl]-(1,4-diazabicyclo[3.2.2]nonan-4-yl)methanone (PubChem CID 90205476) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is [4-(3-amino-4-pyridinyl)phenyl]-(1,4-diazabicyclo[3.2.2]nonan-4-yl)methanone.

Molecular Properties

Compound Name[4-(3-amino-4-pyridinyl)phenyl]-(1,4-diazabicyclo[3.2.2]nonan-4-yl)methanone
PubChem CID90205476
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name[4-(3-amino-4-pyridinyl)phenyl]-(1,4-diazabicyclo[3.2.2]nonan-4-yl)methanone
SMILESNc1cnccc1-c1ccc(C(=O)N2CCN3CCC2CC3)cc1
InChIInChI=1S/C19H22N4O/c20-18-13-21-8-5-17(18)14-1-3-15(4-2-14)19(24)23-12-11-22-9-6-16(23)7-10-22/h1-5,8,13,16H,6-7,9-12,20H2
InChIKeyZACZWLLMIBFLOG-UHFFFAOYSA-N
XLogP2.25
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-diazabicyclo[3.2.2]nonan-4-yl-(4-pyridin-3-ylphenyl)methanone
CID 10335379
[4-(3-amino-4-pyridinyl)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 90205745
[4-(3-amino-4-pyridinyl)phenyl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 125437111
1,4-diazabicyclo[3.2.2]nonan-4-yl-(4-methoxyphenyl)methanone
CID 10355250
1,4-diazabicyclo[3.2.2]nonan-4-yl(quinolin-6-yl)methanone
CID 127041508
4-(4-fluorophenyl)pyridin-3-amine
CID 82405156
2-[(2S)-1-[4-(3-methyl-4-pyridinyl)benzoyl]piperidin-2-yl]acetamide
CID 126442431
[4-(4-amino-3-pyridinyl)phenyl]-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone
CID 121499669
azane;4-(4-fluorophenyl)pyridin-3-amine
CID 90409520
4-(5-aminoisoquinolin-8-yl)benzoic acid
CID 82583234
1,4-diazabicyclo[3.2.1]octan-4-yl-(4-methoxyphenyl)methanone
CID 11608465
4-(3-amino-4-pyridinyl)-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
CID 122572179

Frequently Asked Questions

What is the IUPAC name of [4-(3-amino-4-pyridinyl)phenyl]-(1,4-diazabicyclo[3.2.2]nonan-4-yl)methanone?
The IUPAC name of [4-(3-amino-4-pyridinyl)phenyl]-(1,4-diazabicyclo[3.2.2]nonan-4-yl)methanone (CID 90205476) is [4-(3-amino-4-pyridinyl)phenyl]-(1,4-diazabicyclo[3.2.2]nonan-4-yl)methanone.
What is the SMILES notation for [4-(3-amino-4-pyridinyl)phenyl]-(1,4-diazabicyclo[3.2.2]nonan-4-yl)methanone?
The canonical SMILES for [4-(3-amino-4-pyridinyl)phenyl]-(1,4-diazabicyclo[3.2.2]nonan-4-yl)methanone is Nc1cnccc1-c1ccc(C(=O)N2CCN3CCC2CC3)cc1.
What is the InChIKey of [4-(3-amino-4-pyridinyl)phenyl]-(1,4-diazabicyclo[3.2.2]nonan-4-yl)methanone?
The InChIKey is ZACZWLLMIBFLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c20-18-13-21-8-5-17(18)14-1-3-15(4-2-14)19(24)23-12-11-22-9-6-16(23)7-10-22/h1-5,8,13,16H,6-7,9-12,20H2.
What are the key properties of [4-(3-amino-4-pyridinyl)phenyl]-(1,4-diazabicyclo[3.2.2]nonan-4-yl)methanone?
[4-(3-amino-4-pyridinyl)phenyl]-(1,4-diazabicyclo[3.2.2]nonan-4-yl)methanone has a molecular weight of 322.41 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-amino-4-pyridinyl)phenyl]-(1,4-diazabicyclo[3.2.2]nonan-4-yl)methanone is sourced from PubChem (CID 90205476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).