3-(2-methyl-6-oxo-1-pyridinyl)-N-[(1S)-1-(3-methyl-2-pyridinyl)propyl]propanamide

C18H23N3O2 — CID 126441957

IUPAC3-(2-methyl-6-oxo-1-pyridinyl)-N-[(1S)-1-(3-methyl-2-pyridinyl)propyl]propanamide
SMILESCC[C@H](NC(=O)CCn1c(C)cccc1=O)c1ncccc1C
InChIInChI=1S/C18H23N3O2/c1-4-15(18-13(2)7-6-11-19-18)20-16(22)10-12-21-14(3)8-5-9-17(21)23/h5-9,11,15H,4,10,12H2,1-3H3,(H,20,22)/t15-/m0/s1
InChIKeyWZHGDDGWITVBQI-HNNXBMFYSA-N
MW313.40 g/mol
LogP2.52
Rot. Bonds6

About 3-(2-methyl-6-oxo-1-pyridinyl)-N-[(1S)-1-(3-methyl-2-pyridinyl)propyl]propanamide

3-(2-methyl-6-oxo-1-pyridinyl)-N-[(1S)-1-(3-methyl-2-pyridinyl)propyl]propanamide (PubChem CID 126441957) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-(2-methyl-6-oxo-1-pyridinyl)-N-[(1S)-1-(3-methyl-2-pyridinyl)propyl]propanamide.

Molecular Properties

Compound Name3-(2-methyl-6-oxo-1-pyridinyl)-N-[(1S)-1-(3-methyl-2-pyridinyl)propyl]propanamide
PubChem CID126441957
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name3-(2-methyl-6-oxo-1-pyridinyl)-N-[(1S)-1-(3-methyl-2-pyridinyl)propyl]propanamide
SMILESCC[C@H](NC(=O)CCn1c(C)cccc1=O)c1ncccc1C
InChIInChI=1S/C18H23N3O2/c1-4-15(18-13(2)7-6-11-19-18)20-16(22)10-12-21-14(3)8-5-9-17(21)23/h5-9,11,15H,4,10,12H2,1-3H3,(H,20,22)/t15-/m0/s1
InChIKeyWZHGDDGWITVBQI-HNNXBMFYSA-N
XLogP2.52
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-6-oxo-1-pyridinyl)-N-[(1S)-1-(3-methyl-2-pyridinyl)propyl]propanamide?
The IUPAC name of 3-(2-methyl-6-oxo-1-pyridinyl)-N-[(1S)-1-(3-methyl-2-pyridinyl)propyl]propanamide (CID 126441957) is 3-(2-methyl-6-oxo-1-pyridinyl)-N-[(1S)-1-(3-methyl-2-pyridinyl)propyl]propanamide.
What is the SMILES notation for 3-(2-methyl-6-oxo-1-pyridinyl)-N-[(1S)-1-(3-methyl-2-pyridinyl)propyl]propanamide?
The canonical SMILES for 3-(2-methyl-6-oxo-1-pyridinyl)-N-[(1S)-1-(3-methyl-2-pyridinyl)propyl]propanamide is CC[C@H](NC(=O)CCn1c(C)cccc1=O)c1ncccc1C.
What is the InChIKey of 3-(2-methyl-6-oxo-1-pyridinyl)-N-[(1S)-1-(3-methyl-2-pyridinyl)propyl]propanamide?
The InChIKey is WZHGDDGWITVBQI-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-4-15(18-13(2)7-6-11-19-18)20-16(22)10-12-21-14(3)8-5-9-17(21)23/h5-9,11,15H,4,10,12H2,1-3H3,(H,20,22)/t15-/m0/s1.
What are the key properties of 3-(2-methyl-6-oxo-1-pyridinyl)-N-[(1S)-1-(3-methyl-2-pyridinyl)propyl]propanamide?
3-(2-methyl-6-oxo-1-pyridinyl)-N-[(1S)-1-(3-methyl-2-pyridinyl)propyl]propanamide has a molecular weight of 313.40 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-6-oxo-1-pyridinyl)-N-[(1S)-1-(3-methyl-2-pyridinyl)propyl]propanamide is sourced from PubChem (CID 126441957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).