2-(3,6-dimethyl-2-oxo-1-pyridinyl)-N-[(1S)-1-pyridin-3-ylpropyl]acetamide

C17H21N3O2 — CID 59951658

IUPAC2-(3,6-dimethyl-2-oxo-1-pyridinyl)-N-[(1S)-1-pyridin-3-ylpropyl]acetamide
SMILESCC[C@H](NC(=O)Cn1c(C)ccc(C)c1=O)c1cccnc1
InChIInChI=1S/C17H21N3O2/c1-4-15(14-6-5-9-18-10-14)19-16(21)11-20-13(3)8-7-12(2)17(20)22/h5-10,15H,4,11H2,1-3H3,(H,19,21)/t15-/m0/s1
InChIKeyKKXREKGMFVMBSW-HNNXBMFYSA-N
MW299.37 g/mol
LogP2.13
Rot. Bonds5

About 2-(3,6-dimethyl-2-oxo-1-pyridinyl)-N-[(1S)-1-pyridin-3-ylpropyl]acetamide

2-(3,6-dimethyl-2-oxo-1-pyridinyl)-N-[(1S)-1-pyridin-3-ylpropyl]acetamide (PubChem CID 59951658) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-(3,6-dimethyl-2-oxo-1-pyridinyl)-N-[(1S)-1-pyridin-3-ylpropyl]acetamide.

Molecular Properties

Compound Name2-(3,6-dimethyl-2-oxo-1-pyridinyl)-N-[(1S)-1-pyridin-3-ylpropyl]acetamide
PubChem CID59951658
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name2-(3,6-dimethyl-2-oxo-1-pyridinyl)-N-[(1S)-1-pyridin-3-ylpropyl]acetamide
SMILESCC[C@H](NC(=O)Cn1c(C)ccc(C)c1=O)c1cccnc1
InChIInChI=1S/C17H21N3O2/c1-4-15(14-6-5-9-18-10-14)19-16(21)11-20-13(3)8-7-12(2)17(20)22/h5-10,15H,4,11H2,1-3H3,(H,19,21)/t15-/m0/s1
InChIKeyKKXREKGMFVMBSW-HNNXBMFYSA-N
XLogP2.13
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-6-methyl-2-oxo-N-[(1S)-1-pyridin-3-ylpropyl]pyridine-3-carboxamide
CID 125441292
3-fluoro-4-methyl-N-(1-pyridin-3-ylpropyl)benzamide
CID 91796729
3-(1,2-oxazol-5-yl)-N-[(1S)-1-pyridin-3-ylpropyl]propanamide
CID 125441013
2-(2-methylindol-1-yl)-N-(1-pyridin-3-ylethyl)acetamide
CID 51239093
2-(3-methoxyphenyl)-N-(3-methyl-1-pyridin-3-ylbutyl)acetamide
CID 118774275
1-piperidin-1-yl-N-(1-pyridin-3-ylpropyl)cyclohexane-1-carboxamide
CID 91787819
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(1-pyridin-3-ylethyl)acetamide
CID 24642200
2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-(1-pyridin-3-ylpentyl)acetamide
CID 122570848
2-(5-aminotetrazol-1-yl)-N-(3,3-dimethyl-1-pyridin-3-ylbutyl)acetamide
CID 91778729
N-[1-(3,4-dimethoxyphenyl)propyl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide
CID 74230940
ethyl 3-[(2-aminoacetyl)amino]-3-pyridin-3-ylpropanoate;dihydrochloride
CID 70248930
(E)-N-[(1S)-3-methyl-1-pyridin-3-ylbutyl]hex-3-enamide
CID 124756065

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dimethyl-2-oxo-1-pyridinyl)-N-[(1S)-1-pyridin-3-ylpropyl]acetamide?
The IUPAC name of 2-(3,6-dimethyl-2-oxo-1-pyridinyl)-N-[(1S)-1-pyridin-3-ylpropyl]acetamide (CID 59951658) is 2-(3,6-dimethyl-2-oxo-1-pyridinyl)-N-[(1S)-1-pyridin-3-ylpropyl]acetamide.
What is the SMILES notation for 2-(3,6-dimethyl-2-oxo-1-pyridinyl)-N-[(1S)-1-pyridin-3-ylpropyl]acetamide?
The canonical SMILES for 2-(3,6-dimethyl-2-oxo-1-pyridinyl)-N-[(1S)-1-pyridin-3-ylpropyl]acetamide is CC[C@H](NC(=O)Cn1c(C)ccc(C)c1=O)c1cccnc1.
What is the InChIKey of 2-(3,6-dimethyl-2-oxo-1-pyridinyl)-N-[(1S)-1-pyridin-3-ylpropyl]acetamide?
The InChIKey is KKXREKGMFVMBSW-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-4-15(14-6-5-9-18-10-14)19-16(21)11-20-13(3)8-7-12(2)17(20)22/h5-10,15H,4,11H2,1-3H3,(H,19,21)/t15-/m0/s1.
What are the key properties of 2-(3,6-dimethyl-2-oxo-1-pyridinyl)-N-[(1S)-1-pyridin-3-ylpropyl]acetamide?
2-(3,6-dimethyl-2-oxo-1-pyridinyl)-N-[(1S)-1-pyridin-3-ylpropyl]acetamide has a molecular weight of 299.37 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dimethyl-2-oxo-1-pyridinyl)-N-[(1S)-1-pyridin-3-ylpropyl]acetamide is sourced from PubChem (CID 59951658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).