N-(1-methyl-2-oxo-3-pyridinyl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide

C17H26N4O2 — CID 71984851

IUPACN-(1-methyl-2-oxo-3-pyridinyl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
SMILESCC(C)N1C2CCC1CN(C(=O)Nc1cccn(C)c1=O)CC2
InChIInChI=1S/C17H26N4O2/c1-12(2)21-13-6-7-14(21)11-20(10-8-13)17(23)18-15-5-4-9-19(3)16(15)22/h4-5,9,12-14H,6-8,10-11H2,1-3H3,(H,18,23)
InChIKeyPLMWXHAYOZTDJO-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.86
Rot. Bonds2

About N-(1-methyl-2-oxo-3-pyridinyl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide

N-(1-methyl-2-oxo-3-pyridinyl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide (PubChem CID 71984851) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-(1-methyl-2-oxo-3-pyridinyl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide.

Molecular Properties

Compound NameN-(1-methyl-2-oxo-3-pyridinyl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
PubChem CID71984851
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC NameN-(1-methyl-2-oxo-3-pyridinyl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
SMILESCC(C)N1C2CCC1CN(C(=O)Nc1cccn(C)c1=O)CC2
InChIInChI=1S/C17H26N4O2/c1-12(2)21-13-6-7-14(21)11-20(10-8-13)17(23)18-15-5-4-9-19(3)16(15)22/h4-5,9,12-14H,6-8,10-11H2,1-3H3,(H,18,23)
InChIKeyPLMWXHAYOZTDJO-UHFFFAOYSA-N
XLogP1.86
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-2-oxo-3-pyridinyl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
The IUPAC name of N-(1-methyl-2-oxo-3-pyridinyl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide (CID 71984851) is N-(1-methyl-2-oxo-3-pyridinyl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide.
What is the SMILES notation for N-(1-methyl-2-oxo-3-pyridinyl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
The canonical SMILES for N-(1-methyl-2-oxo-3-pyridinyl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide is CC(C)N1C2CCC1CN(C(=O)Nc1cccn(C)c1=O)CC2.
What is the InChIKey of N-(1-methyl-2-oxo-3-pyridinyl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
The InChIKey is PLMWXHAYOZTDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-12(2)21-13-6-7-14(21)11-20(10-8-13)17(23)18-15-5-4-9-19(3)16(15)22/h4-5,9,12-14H,6-8,10-11H2,1-3H3,(H,18,23).
What are the key properties of N-(1-methyl-2-oxo-3-pyridinyl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide?
N-(1-methyl-2-oxo-3-pyridinyl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-2-oxo-3-pyridinyl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide is sourced from PubChem (CID 71984851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).