6-amino-5-chloro-2-methoxy-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyridine-3-carboxamide

C16H23ClN4O2 — CID 11724735

IUPAC6-amino-5-chloro-2-methoxy-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyridine-3-carboxamide
SMILESCOc1nc(N)c(Cl)cc1C(=O)NC1CC2CCCC(C1)N2C
InChIInChI=1S/C16H23ClN4O2/c1-21-10-4-3-5-11(21)7-9(6-10)19-15(22)12-8-13(17)14(18)20-16(12)23-2/h8-11H,3-7H2,1-2H3,(H2,18,20)(H,19,22)
InChIKeyBCLLSLQFCCDNIE-UHFFFAOYSA-N
MW338.84 g/mol
LogP2.07
Rot. Bonds3

About 6-amino-5-chloro-2-methoxy-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyridine-3-carboxamide

6-amino-5-chloro-2-methoxy-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyridine-3-carboxamide (PubChem CID 11724735) has the molecular formula C16H23ClN4O2 and a molecular weight of 338.84 g/mol. Its IUPAC name is 6-amino-5-chloro-2-methoxy-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-5-chloro-2-methoxy-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyridine-3-carboxamide
PubChem CID11724735
Molecular FormulaC16H23ClN4O2
Molecular Weight338.84 g/mol
Exact Mass338.15
IUPAC Name6-amino-5-chloro-2-methoxy-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyridine-3-carboxamide
SMILESCOc1nc(N)c(Cl)cc1C(=O)NC1CC2CCCC(C1)N2C
InChIInChI=1S/C16H23ClN4O2/c1-21-10-4-3-5-11(21)7-9(6-10)19-15(22)12-8-13(17)14(18)20-16(12)23-2/h8-11H,3-7H2,1-2H3,(H2,18,20)(H,19,22)
InChIKeyBCLLSLQFCCDNIE-UHFFFAOYSA-N
XLogP2.07
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-amino-5-chloro-2-methoxy-N-(9-methyl-9-azabicyclo[3.3.1]nonan-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-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
6-amino-5-chloro-2-methoxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyridine-3-carboxamide
CID 10064865
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-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyridine-3-carboxamide?
The IUPAC name of 6-amino-5-chloro-2-methoxy-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyridine-3-carboxamide (CID 11724735) is 6-amino-5-chloro-2-methoxy-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-amino-5-chloro-2-methoxy-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-amino-5-chloro-2-methoxy-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyridine-3-carboxamide is COc1nc(N)c(Cl)cc1C(=O)NC1CC2CCCC(C1)N2C.
What is the InChIKey of 6-amino-5-chloro-2-methoxy-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyridine-3-carboxamide?
The InChIKey is BCLLSLQFCCDNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN4O2/c1-21-10-4-3-5-11(21)7-9(6-10)19-15(22)12-8-13(17)14(18)20-16(12)23-2/h8-11H,3-7H2,1-2H3,(H2,18,20)(H,19,22).
What are the key properties of 6-amino-5-chloro-2-methoxy-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyridine-3-carboxamide?
6-amino-5-chloro-2-methoxy-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyridine-3-carboxamide has a molecular weight of 338.84 g/mol, XLogP of 2.07, 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-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 11724735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).