6-amino-5-chloro-2-methoxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyridine-3-carboxamide

C15H21ClN4O2 — CID 10064865

IUPAC6-amino-5-chloro-2-methoxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyridine-3-carboxamide
SMILESCOc1nc(N)c(Cl)cc1C(=O)NC1CC2CCC(C1)N2C
InChIInChI=1S/C15H21ClN4O2/c1-20-9-3-4-10(20)6-8(5-9)18-14(21)11-7-12(16)13(17)19-15(11)22-2/h7-10H,3-6H2,1-2H3,(H2,17,19)(H,18,21)
InChIKeyZXOSVCPBGQTIIH-UHFFFAOYSA-N
MW324.81 g/mol
LogP1.68
Rot. Bonds3

About 6-amino-5-chloro-2-methoxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyridine-3-carboxamide

6-amino-5-chloro-2-methoxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyridine-3-carboxamide (PubChem CID 10064865) has the molecular formula C15H21ClN4O2 and a molecular weight of 324.81 g/mol. Its IUPAC name is 6-amino-5-chloro-2-methoxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-5-chloro-2-methoxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyridine-3-carboxamide
PubChem CID10064865
Molecular FormulaC15H21ClN4O2
Molecular Weight324.81 g/mol
Exact Mass324.14
IUPAC Name6-amino-5-chloro-2-methoxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyridine-3-carboxamide
SMILESCOc1nc(N)c(Cl)cc1C(=O)NC1CC2CCC(C1)N2C
InChIInChI=1S/C15H21ClN4O2/c1-20-9-3-4-10(20)6-8(5-9)18-14(21)11-7-12(16)13(17)19-15(11)22-2/h7-10H,3-6H2,1-2H3,(H2,17,19)(H,18,21)
InChIKeyZXOSVCPBGQTIIH-UHFFFAOYSA-N
XLogP1.68
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-amino-5-chloro-2-methoxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyridine-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-[(6R)-1-ethyl-4-methyl-1,4-diazepan-6-yl]-6-methoxy-2-(methylamino)pyridine-3-carboxamide
CID 11810407
6-amino-N-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-5-chloro-2-methoxypyridine-3-carboxamide
CID 10024832
6-amino-5-chloro-2-methoxy-N-[1-[[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 11296308

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-chloro-2-methoxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyridine-3-carboxamide?
The IUPAC name of 6-amino-5-chloro-2-methoxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyridine-3-carboxamide (CID 10064865) is 6-amino-5-chloro-2-methoxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-amino-5-chloro-2-methoxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-amino-5-chloro-2-methoxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyridine-3-carboxamide is COc1nc(N)c(Cl)cc1C(=O)NC1CC2CCC(C1)N2C.
What is the InChIKey of 6-amino-5-chloro-2-methoxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyridine-3-carboxamide?
The InChIKey is ZXOSVCPBGQTIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4O2/c1-20-9-3-4-10(20)6-8(5-9)18-14(21)11-7-12(16)13(17)19-15(11)22-2/h7-10H,3-6H2,1-2H3,(H2,17,19)(H,18,21).
What are the key properties of 6-amino-5-chloro-2-methoxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyridine-3-carboxamide?
6-amino-5-chloro-2-methoxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyridine-3-carboxamide has a molecular weight of 324.81 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-chloro-2-methoxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 10064865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).