N-(1,4-dimethyl-6-oxo-3-pyridinyl)-1-(oxan-4-yl)pyrrolidine-2-carboxamide

C17H25N3O3 — CID 127616242

IUPACN-(1,4-dimethyl-6-oxo-3-pyridinyl)-1-(oxan-4-yl)pyrrolidine-2-carboxamide
SMILESCc1cc(=O)n(C)cc1NC(=O)C1CCCN1C1CCOCC1
InChIInChI=1S/C17H25N3O3/c1-12-10-16(21)19(2)11-14(12)18-17(22)15-4-3-7-20(15)13-5-8-23-9-6-13/h10-11,13,15H,3-9H2,1-2H3,(H,18,22)
InChIKeyFBOMQRVIHYOZBF-UHFFFAOYSA-N
MW319.40 g/mol
LogP1.28
Rot. Bonds3

About N-(1,4-dimethyl-6-oxo-3-pyridinyl)-1-(oxan-4-yl)pyrrolidine-2-carboxamide

N-(1,4-dimethyl-6-oxo-3-pyridinyl)-1-(oxan-4-yl)pyrrolidine-2-carboxamide (PubChem CID 127616242) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is N-(1,4-dimethyl-6-oxo-3-pyridinyl)-1-(oxan-4-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(1,4-dimethyl-6-oxo-3-pyridinyl)-1-(oxan-4-yl)pyrrolidine-2-carboxamide
PubChem CID127616242
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC NameN-(1,4-dimethyl-6-oxo-3-pyridinyl)-1-(oxan-4-yl)pyrrolidine-2-carboxamide
SMILESCc1cc(=O)n(C)cc1NC(=O)C1CCCN1C1CCOCC1
InChIInChI=1S/C17H25N3O3/c1-12-10-16(21)19(2)11-14(12)18-17(22)15-4-3-7-20(15)13-5-8-23-9-6-13/h10-11,13,15H,3-9H2,1-2H3,(H,18,22)
InChIKeyFBOMQRVIHYOZBF-UHFFFAOYSA-N
XLogP1.28
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dimethyl-6-oxo-3-pyridinyl)-1-(oxan-4-yl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(1,4-dimethyl-6-oxo-3-pyridinyl)-1-(oxan-4-yl)pyrrolidine-2-carboxamide (CID 127616242) is N-(1,4-dimethyl-6-oxo-3-pyridinyl)-1-(oxan-4-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(1,4-dimethyl-6-oxo-3-pyridinyl)-1-(oxan-4-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(1,4-dimethyl-6-oxo-3-pyridinyl)-1-(oxan-4-yl)pyrrolidine-2-carboxamide is Cc1cc(=O)n(C)cc1NC(=O)C1CCCN1C1CCOCC1.
What is the InChIKey of N-(1,4-dimethyl-6-oxo-3-pyridinyl)-1-(oxan-4-yl)pyrrolidine-2-carboxamide?
The InChIKey is FBOMQRVIHYOZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-12-10-16(21)19(2)11-14(12)18-17(22)15-4-3-7-20(15)13-5-8-23-9-6-13/h10-11,13,15H,3-9H2,1-2H3,(H,18,22).
What are the key properties of N-(1,4-dimethyl-6-oxo-3-pyridinyl)-1-(oxan-4-yl)pyrrolidine-2-carboxamide?
N-(1,4-dimethyl-6-oxo-3-pyridinyl)-1-(oxan-4-yl)pyrrolidine-2-carboxamide has a molecular weight of 319.40 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dimethyl-6-oxo-3-pyridinyl)-1-(oxan-4-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 127616242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).