N-[5-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonane-4-carbonyl)-3-pyridinyl]propanamide

C17H21N3O3 — CID 154867896

IUPACN-[5-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonane-4-carbonyl)-3-pyridinyl]propanamide
SMILESCCC(=O)Nc1cncc(C(=O)N2CC3CC4CC3C2C4O)c1
InChIInChI=1S/C17H21N3O3/c1-2-14(21)19-12-4-10(6-18-7-12)17(23)20-8-11-3-9-5-13(11)15(20)16(9)22/h4,6-7,9,11,13,15-16,22H,2-3,5,8H2,1H3,(H,19,21)
InChIKeyVUSKWDVHZNLCHQ-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.27
Rot. Bonds3

About N-[5-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonane-4-carbonyl)-3-pyridinyl]propanamide

N-[5-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonane-4-carbonyl)-3-pyridinyl]propanamide (PubChem CID 154867896) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[5-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonane-4-carbonyl)-3-pyridinyl]propanamide.

Molecular Properties

Compound NameN-[5-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonane-4-carbonyl)-3-pyridinyl]propanamide
PubChem CID154867896
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-[5-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonane-4-carbonyl)-3-pyridinyl]propanamide
SMILESCCC(=O)Nc1cncc(C(=O)N2CC3CC4CC3C2C4O)c1
InChIInChI=1S/C17H21N3O3/c1-2-14(21)19-12-4-10(6-18-7-12)17(23)20-8-11-3-9-5-13(11)15(20)16(9)22/h4,6-7,9,11,13,15-16,22H,2-3,5,8H2,1H3,(H,19,21)
InChIKeyVUSKWDVHZNLCHQ-UHFFFAOYSA-N
XLogP1.27
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[5-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonane-4-carbonyl)-3-pyridinyl]propanamide with MolForge

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Related Compounds

(4,5-dibromothiophen-2-yl)-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)methanone
CID 114247458
2-(aminomethyl)-1-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)-2-methylbutan-1-one
CID 114247386
5-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]pyridine-3-carboxylic acid
CID 63153999
4-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonane-4-carbonyl)-1-methylpiperidin-2-one
CID 122130954
5-hydroxy-N-[4-(propanoylamino)phenyl]pyridine-3-carboxamide
CID 63859925
[5-(cyclohexylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109226885
[5-(butan-2-ylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109225384
5-[(2-ethylpiperidine-1-carbonyl)amino]pyridine-3-carboxylic acid
CID 63157572
5-[(3-ethylpiperidine-1-carbonyl)amino]pyridine-3-carboxylic acid
CID 63157800
5-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]pyridine-3-carboxylic acid
CID 63154255
N-[[(1R,2S,3R,4S)-6-(5-fluoropyridine-3-carbonyl)-4-hydroxy-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]propanamide
CID 162626717
N-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]propanamide
CID 120731082

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonane-4-carbonyl)-3-pyridinyl]propanamide?
The IUPAC name of N-[5-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonane-4-carbonyl)-3-pyridinyl]propanamide (CID 154867896) is N-[5-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonane-4-carbonyl)-3-pyridinyl]propanamide.
What is the SMILES notation for N-[5-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonane-4-carbonyl)-3-pyridinyl]propanamide?
The canonical SMILES for N-[5-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonane-4-carbonyl)-3-pyridinyl]propanamide is CCC(=O)Nc1cncc(C(=O)N2CC3CC4CC3C2C4O)c1.
What is the InChIKey of N-[5-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonane-4-carbonyl)-3-pyridinyl]propanamide?
The InChIKey is VUSKWDVHZNLCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-2-14(21)19-12-4-10(6-18-7-12)17(23)20-8-11-3-9-5-13(11)15(20)16(9)22/h4,6-7,9,11,13,15-16,22H,2-3,5,8H2,1H3,(H,19,21).
What are the key properties of N-[5-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonane-4-carbonyl)-3-pyridinyl]propanamide?
N-[5-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonane-4-carbonyl)-3-pyridinyl]propanamide has a molecular weight of 315.37 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonane-4-carbonyl)-3-pyridinyl]propanamide is sourced from PubChem (CID 154867896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).