6-amino-N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-5-chloro-2-methoxypyridine-3-carboxamide

C22H27ClN4O2 — CID 10024832

IUPAC6-amino-N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-5-chloro-2-methoxypyridine-3-carboxamide
SMILESCOc1nc(N)c(Cl)cc1C(=O)NC1CC2CCCC(C1)N2Cc1ccccc1
InChIInChI=1S/C22H27ClN4O2/c1-29-22-18(12-19(23)20(24)26-22)21(28)25-15-10-16-8-5-9-17(11-15)27(16)13-14-6-3-2-4-7-14/h2-4,6-7,12,15-17H,5,8-11,13H2,1H3,(H2,24,26)(H,25,28)
InChIKeyFUOUCUSWOTUMGM-UHFFFAOYSA-N
MW414.94 g/mol
LogP3.64
Rot. Bonds5

About 6-amino-N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-5-chloro-2-methoxypyridine-3-carboxamide

6-amino-N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-5-chloro-2-methoxypyridine-3-carboxamide (PubChem CID 10024832) has the molecular formula C22H27ClN4O2 and a molecular weight of 414.94 g/mol. Its IUPAC name is 6-amino-N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-5-chloro-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-5-chloro-2-methoxypyridine-3-carboxamide
PubChem CID10024832
Molecular FormulaC22H27ClN4O2
Molecular Weight414.94 g/mol
Exact Mass414.18
IUPAC Name6-amino-N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-5-chloro-2-methoxypyridine-3-carboxamide
SMILESCOc1nc(N)c(Cl)cc1C(=O)NC1CC2CCCC(C1)N2Cc1ccccc1
InChIInChI=1S/C22H27ClN4O2/c1-29-22-18(12-19(23)20(24)26-22)21(28)25-15-10-16-8-5-9-17(11-15)27(16)13-14-6-3-2-4-7-14/h2-4,6-7,12,15-17H,5,8-11,13H2,1H3,(H2,24,26)(H,25,28)
InChIKeyFUOUCUSWOTUMGM-UHFFFAOYSA-N
XLogP3.64
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.94
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-amino-N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-5-chloro-2-methoxypyridine-3-carboxamide with MolForge

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Related Compounds

5-Chloro-N-(1,4-diethyl-[1,4]diazepan-6-yl)-2-methoxy-6-methylamino-nicotinamide
CID 10915622
5-Chloro-2-ethoxy-N-(1-ethyl-4-methyl-[1,4]diazepan-6-yl)-6-methylamino-nicotinamide
CID 11760413
6-amino-5-chloro-2-methoxy-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyridine-3-carboxamide
CID 11724735
6-Amino-5-chloro-N-(1-ethyl-4-methyl-[1,4]diazepan-6-yl)-2-methoxy-nicotinamide
CID 10860791
5-Chloro-N-(1,4-dimethyl-[1,4]diazepan-6-yl)-2-methoxy-6-methylamino-nicotinamide
CID 10925901
5-Chloro-N-((S)-1-ethyl-4-methyl-[1,4]diazepan-6-yl)-2-methoxy-6-methylamino-nicotinamide
CID 10937177
5-Chloro-6-ethylamino-N-(1-ethyl-4-methyl-[1,4]diazepan-6-yl)-2-methoxy-nicotinamide
CID 11003173
5-Chloro-N-((R)-1-ethyl-4-methyl-[1,4]diazepan-6-yl)-2-methoxy-6-methylamino-nicotinamide
CID 11810408
5-Chloro-N-(1-ethyl-4-methyl-[1,4]diazepan-6-yl)-2-methoxy-6-methylamino-nicotinamide
CID 44285961
5-Chloro-N-[1-(3-fluoro-4-methoxy-benzyl)-piperidin-4-yl]-2-isobutylamino-nicotinamide
CID 44403492
N-(1-Benzyl-piperidin-4-yl)-5-chloro-2-(4-methoxy-benzylamino)-nicotinamide
CID 44403506
6-amino-5-chloro-2-methoxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyridine-3-carboxamide
CID 10064865

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-5-chloro-2-methoxypyridine-3-carboxamide?
The IUPAC name of 6-amino-N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-5-chloro-2-methoxypyridine-3-carboxamide (CID 10024832) is 6-amino-N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-5-chloro-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for 6-amino-N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-5-chloro-2-methoxypyridine-3-carboxamide?
The canonical SMILES for 6-amino-N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-5-chloro-2-methoxypyridine-3-carboxamide is COc1nc(N)c(Cl)cc1C(=O)NC1CC2CCCC(C1)N2Cc1ccccc1.
What is the InChIKey of 6-amino-N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-5-chloro-2-methoxypyridine-3-carboxamide?
The InChIKey is FUOUCUSWOTUMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN4O2/c1-29-22-18(12-19(23)20(24)26-22)21(28)25-15-10-16-8-5-9-17(11-15)27(16)13-14-6-3-2-4-7-14/h2-4,6-7,12,15-17H,5,8-11,13H2,1H3,(H2,24,26)(H,25,28).
What are the key properties of 6-amino-N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-5-chloro-2-methoxypyridine-3-carboxamide?
6-amino-N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-5-chloro-2-methoxypyridine-3-carboxamide has a molecular weight of 414.94 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-5-chloro-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 10024832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).