N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide

C19H27N3O3 — CID 56898551

IUPACN-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NC2CC(=O)N(C3CCCCCC3)C2)c(C)[nH]1
InChIInChI=1S/C19H27N3O3/c1-12-9-16(23)18(13(2)20-12)19(25)21-14-10-17(24)22(11-14)15-7-5-3-4-6-8-15/h9,14-15H,3-8,10-11H2,1-2H3,(H,20,23)(H,21,25)
InChIKeyUPDODYDYAUUHTA-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.05
Rot. Bonds3

About N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide

N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 56898551) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
PubChem CID56898551
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NC2CC(=O)N(C3CCCCCC3)C2)c(C)[nH]1
InChIInChI=1S/C19H27N3O3/c1-12-9-16(23)18(13(2)20-12)19(25)21-14-10-17(24)22(11-14)15-7-5-3-4-6-8-15/h9,14-15H,3-8,10-11H2,1-2H3,(H,20,23)(H,21,25)
InChIKeyUPDODYDYAUUHTA-UHFFFAOYSA-N
XLogP2.05
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide (CID 56898551) is N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide is Cc1cc(=O)c(C(=O)NC2CC(=O)N(C3CCCCCC3)C2)c(C)[nH]1.
What is the InChIKey of N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is UPDODYDYAUUHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-12-9-16(23)18(13(2)20-12)19(25)21-14-10-17(24)22(11-14)15-7-5-3-4-6-8-15/h9,14-15H,3-8,10-11H2,1-2H3,(H,20,23)(H,21,25).
What are the key properties of N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide?
N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 56898551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).