N-[(2S)-1-hydroxypropan-2-yl]-3-(2-methyl-5-oxopyrrolidin-1-yl)-5-(5-methyl-2-pyridinyl)benzamide

C21H25N3O3 — CID 59627755

IUPACN-[(2S)-1-hydroxypropan-2-yl]-3-(2-methyl-5-oxopyrrolidin-1-yl)-5-(5-methyl-2-pyridinyl)benzamide
SMILESCc1ccc(-c2cc(C(=O)N[C@@H](C)CO)cc(N3C(=O)CCC3C)c2)nc1
InChIInChI=1S/C21H25N3O3/c1-13-4-6-19(22-11-13)16-8-17(21(27)23-14(2)12-25)10-18(9-16)24-15(3)5-7-20(24)26/h4,6,8-11,14-15,25H,5,7,12H2,1-3H3,(H,23,27)/t14-,15?/m0/s1
InChIKeyBKOCCWXGXVWBFA-MLCCFXAWSA-N
MW367.45 g/mol
LogP2.68
Rot. Bonds5

About N-[(2S)-1-hydroxypropan-2-yl]-3-(2-methyl-5-oxopyrrolidin-1-yl)-5-(5-methyl-2-pyridinyl)benzamide

N-[(2S)-1-hydroxypropan-2-yl]-3-(2-methyl-5-oxopyrrolidin-1-yl)-5-(5-methyl-2-pyridinyl)benzamide (PubChem CID 59627755) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[(2S)-1-hydroxypropan-2-yl]-3-(2-methyl-5-oxopyrrolidin-1-yl)-5-(5-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxypropan-2-yl]-3-(2-methyl-5-oxopyrrolidin-1-yl)-5-(5-methyl-2-pyridinyl)benzamide
PubChem CID59627755
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-[(2S)-1-hydroxypropan-2-yl]-3-(2-methyl-5-oxopyrrolidin-1-yl)-5-(5-methyl-2-pyridinyl)benzamide
SMILESCc1ccc(-c2cc(C(=O)N[C@@H](C)CO)cc(N3C(=O)CCC3C)c2)nc1
InChIInChI=1S/C21H25N3O3/c1-13-4-6-19(22-11-13)16-8-17(21(27)23-14(2)12-25)10-18(9-16)24-15(3)5-7-20(24)26/h4,6,8-11,14-15,25H,5,7,12H2,1-3H3,(H,23,27)/t14-,15?/m0/s1
InChIKeyBKOCCWXGXVWBFA-MLCCFXAWSA-N
XLogP2.68
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxypropan-2-yl]-3-(2-methyl-5-oxopyrrolidin-1-yl)-5-(5-methyl-2-pyridinyl)benzamide?
The IUPAC name of N-[(2S)-1-hydroxypropan-2-yl]-3-(2-methyl-5-oxopyrrolidin-1-yl)-5-(5-methyl-2-pyridinyl)benzamide (CID 59627755) is N-[(2S)-1-hydroxypropan-2-yl]-3-(2-methyl-5-oxopyrrolidin-1-yl)-5-(5-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for N-[(2S)-1-hydroxypropan-2-yl]-3-(2-methyl-5-oxopyrrolidin-1-yl)-5-(5-methyl-2-pyridinyl)benzamide?
The canonical SMILES for N-[(2S)-1-hydroxypropan-2-yl]-3-(2-methyl-5-oxopyrrolidin-1-yl)-5-(5-methyl-2-pyridinyl)benzamide is Cc1ccc(-c2cc(C(=O)N[C@@H](C)CO)cc(N3C(=O)CCC3C)c2)nc1.
What is the InChIKey of N-[(2S)-1-hydroxypropan-2-yl]-3-(2-methyl-5-oxopyrrolidin-1-yl)-5-(5-methyl-2-pyridinyl)benzamide?
The InChIKey is BKOCCWXGXVWBFA-MLCCFXAWSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-13-4-6-19(22-11-13)16-8-17(21(27)23-14(2)12-25)10-18(9-16)24-15(3)5-7-20(24)26/h4,6,8-11,14-15,25H,5,7,12H2,1-3H3,(H,23,27)/t14-,15?/m0/s1.
What are the key properties of N-[(2S)-1-hydroxypropan-2-yl]-3-(2-methyl-5-oxopyrrolidin-1-yl)-5-(5-methyl-2-pyridinyl)benzamide?
N-[(2S)-1-hydroxypropan-2-yl]-3-(2-methyl-5-oxopyrrolidin-1-yl)-5-(5-methyl-2-pyridinyl)benzamide has a molecular weight of 367.45 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxypropan-2-yl]-3-(2-methyl-5-oxopyrrolidin-1-yl)-5-(5-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 59627755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).