6-propan-2-yl-4-[(2S)-2-(triazol-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one

C16H21N5O2 — CID 120949756

IUPAC6-propan-2-yl-4-[(2S)-2-(triazol-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
SMILESCC(C)c1cc(C(=O)N2CCC[C@H]2Cn2ccnn2)cc(=O)[nH]1
InChIInChI=1S/C16H21N5O2/c1-11(2)14-8-12(9-15(22)18-14)16(23)21-6-3-4-13(21)10-20-7-5-17-19-20/h5,7-9,11,13H,3-4,6,10H2,1-2H3,(H,18,22)/t13-/m0/s1
InChIKeyUZNMPGITEVEPRH-ZDUSSCGKSA-N
MW315.38 g/mol
LogP1.39
Rot. Bonds4

About 6-propan-2-yl-4-[(2S)-2-(triazol-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one

6-propan-2-yl-4-[(2S)-2-(triazol-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 120949756) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 6-propan-2-yl-4-[(2S)-2-(triazol-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-propan-2-yl-4-[(2S)-2-(triazol-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID120949756
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name6-propan-2-yl-4-[(2S)-2-(triazol-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
SMILESCC(C)c1cc(C(=O)N2CCC[C@H]2Cn2ccnn2)cc(=O)[nH]1
InChIInChI=1S/C16H21N5O2/c1-11(2)14-8-12(9-15(22)18-14)16(23)21-6-3-4-13(21)10-20-7-5-17-19-20/h5,7-9,11,13H,3-4,6,10H2,1-2H3,(H,18,22)/t13-/m0/s1
InChIKeyUZNMPGITEVEPRH-ZDUSSCGKSA-N
XLogP1.39
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-cyclopropyl-1H-pyrazol-4-yl)-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 120949596
(5-methyl-2-pentan-3-ylpyrazol-3-yl)-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 120949713
1-benzofuran-2-yl-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 120949540
7-methyl-1-(2-oxo-6-propan-2-yl-1H-pyridine-4-carbonyl)-1,4-diazepan-5-one
CID 167823776
[(2S)-2-(triazol-1-ylmethyl)piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone
CID 99856614
(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 120949655
(5-chloro-2-pyridinyl)-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 120949586
(3-chloro-4-pyridinyl)-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 120949710
(1-cyclopentyl-5-methylpyrazol-4-yl)-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 120949755
(2-methoxypyrimidin-4-yl)-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 136586362
2-chloro-1-[2-(triazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 154846667
(2,4-dimethoxyphenyl)-[(2R)-2-(triazol-1-ylmethyl)piperidin-1-yl]methanone
CID 97254792

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-4-[(2S)-2-(triazol-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 6-propan-2-yl-4-[(2S)-2-(triazol-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one (CID 120949756) is 6-propan-2-yl-4-[(2S)-2-(triazol-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-propan-2-yl-4-[(2S)-2-(triazol-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 6-propan-2-yl-4-[(2S)-2-(triazol-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one is CC(C)c1cc(C(=O)N2CCC[C@H]2Cn2ccnn2)cc(=O)[nH]1.
What is the InChIKey of 6-propan-2-yl-4-[(2S)-2-(triazol-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is UZNMPGITEVEPRH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-11(2)14-8-12(9-15(22)18-14)16(23)21-6-3-4-13(21)10-20-7-5-17-19-20/h5,7-9,11,13H,3-4,6,10H2,1-2H3,(H,18,22)/t13-/m0/s1.
What are the key properties of 6-propan-2-yl-4-[(2S)-2-(triazol-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
6-propan-2-yl-4-[(2S)-2-(triazol-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 315.38 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-4-[(2S)-2-(triazol-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 120949756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).