4-methyl-5-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-1H-pyridin-2-one

C17H23N5O2 — CID 129492381

IUPAC4-methyl-5-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCc1cc(=O)[nH]cc1C(=O)N1CCCC[C@H]1c1nc(C(C)C)n[nH]1
InChIInChI=1S/C17H23N5O2/c1-10(2)15-19-16(21-20-15)13-6-4-5-7-22(13)17(24)12-9-18-14(23)8-11(12)3/h8-10,13H,4-7H2,1-3H3,(H,18,23)(H,19,20,21)/t13-/m0/s1
InChIKeyWIXWHUWTCSWETA-ZDUSSCGKSA-N
MW329.40 g/mol
LogP2.29
Rot. Bonds3

About 4-methyl-5-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-1H-pyridin-2-one

4-methyl-5-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 129492381) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 4-methyl-5-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-methyl-5-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID129492381
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name4-methyl-5-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCc1cc(=O)[nH]cc1C(=O)N1CCCC[C@H]1c1nc(C(C)C)n[nH]1
InChIInChI=1S/C17H23N5O2/c1-10(2)15-19-16(21-20-15)13-6-4-5-7-22(13)17(24)12-9-18-14(23)8-11(12)3/h8-10,13H,4-7H2,1-3H3,(H,18,23)(H,19,20,21)/t13-/m0/s1
InChIKeyWIXWHUWTCSWETA-ZDUSSCGKSA-N
XLogP2.29
TPSA94.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-5-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 129487501
[3-fluoro-4-(hydroxymethyl)phenyl]-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 129487546
(2,6-dimethoxy-3-pyridinyl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
CID 87052077
(3,6-dichloropyridazin-4-yl)-[(2S)-2-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
CID 178145605
(1-methyl-5-propan-2-ylpyrazol-3-yl)-[2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 128969748
4-methyl-5-[(3S)-3-methyl-4-(4-methyl-6-oxo-1H-pyridine-3-carbonyl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 127464891
3-methyl-5-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole
CID 125143240
5-methyl-4-[[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole
CID 129492290
[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 97130670
[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 70743968
(1,5-dimethylpyrazol-3-yl)-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
CID 87052050
5-[2-(1,3-dimethylpyrazol-4-yl)pyrrolidine-1-carbonyl]-4-methoxy-1H-pyridin-2-one
CID 136564527

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 4-methyl-5-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-1H-pyridin-2-one (CID 129492381) is 4-methyl-5-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-methyl-5-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 4-methyl-5-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-1H-pyridin-2-one is Cc1cc(=O)[nH]cc1C(=O)N1CCCC[C@H]1c1nc(C(C)C)n[nH]1.
What is the InChIKey of 4-methyl-5-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is WIXWHUWTCSWETA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-10(2)15-19-16(21-20-15)13-6-4-5-7-22(13)17(24)12-9-18-14(23)8-11(12)3/h8-10,13H,4-7H2,1-3H3,(H,18,23)(H,19,20,21)/t13-/m0/s1.
What are the key properties of 4-methyl-5-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?
4-methyl-5-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 329.40 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 129492381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).