(3S)-1-(cyclopropylmethyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide

C17H23N3O3 — CID 95764726

IUPAC(3S)-1-(cyclopropylmethyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(C)c(CNC(=O)[C@H]2CC(=O)N(CC3CC3)C2)c(=O)[nH]1
InChIInChI=1S/C17H23N3O3/c1-10-5-11(2)19-17(23)14(10)7-18-16(22)13-6-15(21)20(9-13)8-12-3-4-12/h5,12-13H,3-4,6-9H2,1-2H3,(H,18,22)(H,19,23)/t13-/m0/s1
InChIKeyYQBOGHPPIXTBLP-ZDUSSCGKSA-N
MW317.39 g/mol
LogP0.87
Rot. Bonds5

About (3S)-1-(cyclopropylmethyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide

(3S)-1-(cyclopropylmethyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 95764726) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is (3S)-1-(cyclopropylmethyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(cyclopropylmethyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID95764726
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name(3S)-1-(cyclopropylmethyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(C)c(CNC(=O)[C@H]2CC(=O)N(CC3CC3)C2)c(=O)[nH]1
InChIInChI=1S/C17H23N3O3/c1-10-5-11(2)19-17(23)14(10)7-18-16(22)13-6-15(21)20(9-13)8-12-3-4-12/h5,12-13H,3-4,6-9H2,1-2H3,(H,18,22)(H,19,23)/t13-/m0/s1
InChIKeyYQBOGHPPIXTBLP-ZDUSSCGKSA-N
XLogP0.87
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(cyclopropylmethyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(cyclopropylmethyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 95764726) is (3S)-1-(cyclopropylmethyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(cyclopropylmethyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(cyclopropylmethyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide is Cc1cc(C)c(CNC(=O)[C@H]2CC(=O)N(CC3CC3)C2)c(=O)[nH]1.
What is the InChIKey of (3S)-1-(cyclopropylmethyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is YQBOGHPPIXTBLP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-10-5-11(2)19-17(23)14(10)7-18-16(22)13-6-15(21)20(9-13)8-12-3-4-12/h5,12-13H,3-4,6-9H2,1-2H3,(H,18,22)(H,19,23)/t13-/m0/s1.
What are the key properties of (3S)-1-(cyclopropylmethyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
(3S)-1-(cyclopropylmethyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(cyclopropylmethyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 95764726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).