4,5,6-trimethyl-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-oxo-1H-pyridine-3-carboxamide

C15H21N5O2 — CID 126440041

IUPAC4,5,6-trimethyl-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCC[C@H](NC(=O)c1c(C)c(C)c(C)[nH]c1=O)c1ncnn1C
InChIInChI=1S/C15H21N5O2/c1-6-11(13-16-7-17-20(13)5)19-15(22)12-9(3)8(2)10(4)18-14(12)21/h7,11H,6H2,1-5H3,(H,18,21)(H,19,22)/t11-/m0/s1
InChIKeyRFTNFQBSLWQANE-NSHDSACASA-N
MW303.37 g/mol
LogP1.31
Rot. Bonds4

About 4,5,6-trimethyl-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-oxo-1H-pyridine-3-carboxamide

4,5,6-trimethyl-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 126440041) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 4,5,6-trimethyl-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name4,5,6-trimethyl-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID126440041
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name4,5,6-trimethyl-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCC[C@H](NC(=O)c1c(C)c(C)c(C)[nH]c1=O)c1ncnn1C
InChIInChI=1S/C15H21N5O2/c1-6-11(13-16-7-17-20(13)5)19-15(22)12-9(3)8(2)10(4)18-14(12)21/h7,11H,6H2,1-5H3,(H,18,21)(H,19,22)/t11-/m0/s1
InChIKeyRFTNFQBSLWQANE-NSHDSACASA-N
XLogP1.31
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5,6-trimethyl-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 4,5,6-trimethyl-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-oxo-1H-pyridine-3-carboxamide (CID 126440041) is 4,5,6-trimethyl-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 4,5,6-trimethyl-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 4,5,6-trimethyl-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-oxo-1H-pyridine-3-carboxamide is CC[C@H](NC(=O)c1c(C)c(C)c(C)[nH]c1=O)c1ncnn1C.
What is the InChIKey of 4,5,6-trimethyl-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is RFTNFQBSLWQANE-NSHDSACASA-N. The full InChI is InChI=1S/C15H21N5O2/c1-6-11(13-16-7-17-20(13)5)19-15(22)12-9(3)8(2)10(4)18-14(12)21/h7,11H,6H2,1-5H3,(H,18,21)(H,19,22)/t11-/m0/s1.
What are the key properties of 4,5,6-trimethyl-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-oxo-1H-pyridine-3-carboxamide?
4,5,6-trimethyl-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 303.37 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6-trimethyl-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 126440041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).