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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Related Compounds

(2R,3R)-N-(1,4-dimethyl-6-oxo-3-pyridinyl)-2-methyloxane-3-carboxamide
CID 129399642
4-[(1,4-dimethyl-6-oxo-3-pyridinyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120673991
N-(1,4-dimethyl-6-oxo-3-pyridinyl)piperidine-2-carboxamide
CID 119343326
N-[3-[(1E)-1-hydroxyimino-2-methylpropan-2-yl]-1,2-oxazol-5-yl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide
CID 144745379
(3R)-1-benzyl-N-(1,4-dimethyl-6-oxo-3-pyridinyl)piperidine-3-carboxamide
CID 124507659
N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-1-(oxan-4-yl)pyrrolidine-2-carboxamide
CID 155957578
N-[4-(2-hydroxyethyl)phenyl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide
CID 84599579
N-(6-methyl-2-oxo-1H-pyridin-3-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine-5-carboxamide
CID 167967812
(2R)-1-(oxan-4-yl)pyrrolidine-2-carboxylic acid
CID 51980114
1-(oxan-4-yl)pyrrolidine-2-carboxylic acid
CID 51063851
(2S)-1-(oxan-4-yl)-N-[(2S)-1-thiophen-2-ylpropan-2-yl]pyrrolidine-2-carboxamide
CID 124591408
1-amino-N-(1,4-dimethyl-6-oxo-3-pyridinyl)cyclopentane-1-carboxamide
CID 119343334

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).