4-(2-azaspiro[5.5]undec-9-en-2-yl)pyridine-3-carboxamide

C16H21N3O — CID 133471225

IUPAC4-(2-azaspiro[5.5]undec-9-en-2-yl)pyridine-3-carboxamide
SMILESNC(=O)c1cnccc1N1CCCC2(CC=CCC2)C1
InChIInChI=1S/C16H21N3O/c17-15(20)13-11-18-9-5-14(13)19-10-4-8-16(12-19)6-2-1-3-7-16/h1-2,5,9,11H,3-4,6-8,10,12H2,(H2,17,20)
InChIKeyPWCIJIAJPRMZDP-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.51
Rot. Bonds2

About 4-(2-azaspiro[5.5]undec-9-en-2-yl)pyridine-3-carboxamide

4-(2-azaspiro[5.5]undec-9-en-2-yl)pyridine-3-carboxamide (PubChem CID 133471225) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-(2-azaspiro[5.5]undec-9-en-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(2-azaspiro[5.5]undec-9-en-2-yl)pyridine-3-carboxamide
PubChem CID133471225
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name4-(2-azaspiro[5.5]undec-9-en-2-yl)pyridine-3-carboxamide
SMILESNC(=O)c1cnccc1N1CCCC2(CC=CCC2)C1
InChIInChI=1S/C16H21N3O/c17-15(20)13-11-18-9-5-14(13)19-10-4-8-16(12-19)6-2-1-3-7-16/h1-2,5,9,11H,3-4,6-8,10,12H2,(H2,17,20)
InChIKeyPWCIJIAJPRMZDP-UHFFFAOYSA-N
XLogP2.51
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-(2-azaspiro[5.5]undec-9-en-2-yl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3,6-dihydro-2H-pyridin-1-yl)pyridine-3-carboxylic acid
CID 114410062
3-(3,3-dimethylpiperidin-1-yl)pyridine-4-carboxylic acid
CID 114288722
4-(4-tert-butylazepan-1-yl)pyridine-3-carboxamide
CID 133471382
4-[3-(azepan-1-yl)piperidin-1-yl]pyridine-3-carboxamide
CID 133470685
2-[1-(3-bromo-4-pyridinyl)-3-hydroxypiperidin-3-yl]acetamide
CID 167923380
4-[4-(dimethylamino)piperidin-1-yl]pyridine-3-carboxamide
CID 133442039
2-(2-azaspiro[5.5]undec-9-en-2-yl)-N-pyridin-4-ylacetamide
CID 86952155
4-(4-ethylsulfonylpiperazin-1-yl)pyridine-3-carboxamide
CID 133443019
[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-[2-(pyridin-3-ylmethoxy)phenyl]methanone
CID 97215439
4-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)pyridine-3-carboxamide
CID 133469701
2-(6-methyl-2-pyridinyl)-2-azaspiro[5.5]undec-9-ene
CID 133483282
1-(3-amino-4-pyridinyl)-3-methylpiperidin-3-ol
CID 69047250

Frequently Asked Questions

What is the IUPAC name of 4-(2-azaspiro[5.5]undec-9-en-2-yl)pyridine-3-carboxamide?
The IUPAC name of 4-(2-azaspiro[5.5]undec-9-en-2-yl)pyridine-3-carboxamide (CID 133471225) is 4-(2-azaspiro[5.5]undec-9-en-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 4-(2-azaspiro[5.5]undec-9-en-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 4-(2-azaspiro[5.5]undec-9-en-2-yl)pyridine-3-carboxamide is NC(=O)c1cnccc1N1CCCC2(CC=CCC2)C1.
What is the InChIKey of 4-(2-azaspiro[5.5]undec-9-en-2-yl)pyridine-3-carboxamide?
The InChIKey is PWCIJIAJPRMZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c17-15(20)13-11-18-9-5-14(13)19-10-4-8-16(12-19)6-2-1-3-7-16/h1-2,5,9,11H,3-4,6-8,10,12H2,(H2,17,20).
What are the key properties of 4-(2-azaspiro[5.5]undec-9-en-2-yl)pyridine-3-carboxamide?
4-(2-azaspiro[5.5]undec-9-en-2-yl)pyridine-3-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-azaspiro[5.5]undec-9-en-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 133471225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).