2-chloro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridine-3-carboxamide

C15H20ClN3O — CID 61053293

IUPAC2-chloro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridine-3-carboxamide
SMILESCN1C2CCC1CC(CNC(=O)c1cccnc1Cl)C2
InChIInChI=1S/C15H20ClN3O/c1-19-11-4-5-12(19)8-10(7-11)9-18-15(20)13-3-2-6-17-14(13)16/h2-3,6,10-12H,4-5,7-9H2,1H3,(H,18,20)
InChIKeyUKNKKUWTXLTQOQ-UHFFFAOYSA-N
MW293.80 g/mol
LogP2.34
Rot. Bonds3

About 2-chloro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridine-3-carboxamide

2-chloro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridine-3-carboxamide (PubChem CID 61053293) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is 2-chloro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridine-3-carboxamide
PubChem CID61053293
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name2-chloro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridine-3-carboxamide
SMILESCN1C2CCC1CC(CNC(=O)c1cccnc1Cl)C2
InChIInChI=1S/C15H20ClN3O/c1-19-11-4-5-12(19)8-10(7-11)9-18-15(20)13-3-2-6-17-14(13)16/h2-3,6,10-12H,4-5,7-9H2,1H3,(H,18,20)
InChIKeyUKNKKUWTXLTQOQ-UHFFFAOYSA-N
XLogP2.34
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-carboxamide
CID 103691065
tert-butyl 4-[[(2-chloropyridine-3-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 66569724
2-chloro-N-[(2R)-2-hydroxypropyl]pyridine-3-carboxamide
CID 93419851
4-bromo-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide
CID 61019144
4-iodo-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide
CID 61074514
2-chloro-N-ethylpyridine-3-carboxamide
CID 9182570
5-amino-2-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridine-3-carboxamide
CID 61140945
2-chloro-N-[(3R)-3-hydroxybutyl]pyridine-3-carboxamide
CID 86323911
2-bromo-5-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide
CID 80974574
2-chloro-N-propylpyridine-3-carboxamide
CID 4286757
5-chloro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80624883
2-bromo-6-fluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide
CID 115678740

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridine-3-carboxamide (CID 61053293) is 2-chloro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridine-3-carboxamide is CN1C2CCC1CC(CNC(=O)c1cccnc1Cl)C2.
What is the InChIKey of 2-chloro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridine-3-carboxamide?
The InChIKey is UKNKKUWTXLTQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-19-11-4-5-12(19)8-10(7-11)9-18-15(20)13-3-2-6-17-14(13)16/h2-3,6,10-12H,4-5,7-9H2,1H3,(H,18,20).
What are the key properties of 2-chloro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridine-3-carboxamide?
2-chloro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridine-3-carboxamide has a molecular weight of 293.80 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 61053293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).