N-(8-azabicyclo[3.2.1]octan-3-yl)-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide

C15H21N3O2 — CID 103840422

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)N(C)C2CC3CCC(C2)N3)c[nH]1
InChIInChI=1S/C15H21N3O2/c1-9-5-14(19)13(8-16-9)15(20)18(2)12-6-10-3-4-11(7-12)17-10/h5,8,10-12,17H,3-4,6-7H2,1-2H3,(H,16,19)
InChIKeyKNIMAHYMSQGTKV-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.04
Rot. Bonds2

About N-(8-azabicyclo[3.2.1]octan-3-yl)-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 103840422) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
PubChem CID103840422
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)N(C)C2CC3CCC(C2)N3)c[nH]1
InChIInChI=1S/C15H21N3O2/c1-9-5-14(19)13(8-16-9)15(20)18(2)12-6-10-3-4-11(7-12)17-10/h5,8,10-12,17H,3-4,6-7H2,1-2H3,(H,16,19)
InChIKeyKNIMAHYMSQGTKV-UHFFFAOYSA-N
XLogP1.04
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide (CID 103840422) is N-(8-azabicyclo[3.2.1]octan-3-yl)-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide is Cc1cc(=O)c(C(=O)N(C)C2CC3CCC(C2)N3)c[nH]1.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is KNIMAHYMSQGTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-9-5-14(19)13(8-16-9)15(20)18(2)12-6-10-3-4-11(7-12)17-10/h5,8,10-12,17H,3-4,6-7H2,1-2H3,(H,16,19).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 103840422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).