5-cyclopropyl-N-[(3S)-5-methyl-2-oxopyrrolidin-3-yl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide

C18H25N3O4S — CID 71114639

IUPAC5-cyclopropyl-N-[(3S)-5-methyl-2-oxopyrrolidin-3-yl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide
SMILESCC(C)CS(=O)(=O)c1nc(C(=O)N[C@H]2CC(C)NC2=O)ccc1C1CC1
InChIInChI=1S/C18H25N3O4S/c1-10(2)9-26(24,25)18-13(12-4-5-12)6-7-14(21-18)16(22)20-15-8-11(3)19-17(15)23/h6-7,10-12,15H,4-5,8-9H2,1-3H3,(H,19,23)(H,20,22)/t11?,15-/m0/s1
InChIKeyXRTZCHXBZLFLSP-MHTVFEQDSA-N
MW379.48 g/mol
LogP1.40
Rot. Bonds6

About 5-cyclopropyl-N-[(3S)-5-methyl-2-oxopyrrolidin-3-yl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide

5-cyclopropyl-N-[(3S)-5-methyl-2-oxopyrrolidin-3-yl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide (PubChem CID 71114639) has the molecular formula C18H25N3O4S and a molecular weight of 379.48 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(3S)-5-methyl-2-oxopyrrolidin-3-yl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(3S)-5-methyl-2-oxopyrrolidin-3-yl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide
PubChem CID71114639
Molecular FormulaC18H25N3O4S
Molecular Weight379.48 g/mol
Exact Mass379.16
IUPAC Name5-cyclopropyl-N-[(3S)-5-methyl-2-oxopyrrolidin-3-yl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide
SMILESCC(C)CS(=O)(=O)c1nc(C(=O)N[C@H]2CC(C)NC2=O)ccc1C1CC1
InChIInChI=1S/C18H25N3O4S/c1-10(2)9-26(24,25)18-13(12-4-5-12)6-7-14(21-18)16(22)20-15-8-11(3)19-17(15)23/h6-7,10-12,15H,4-5,8-9H2,1-3H3,(H,19,23)(H,20,22)/t11?,15-/m0/s1
InChIKeyXRTZCHXBZLFLSP-MHTVFEQDSA-N
XLogP1.40
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(3S)-5-methyl-2-oxopyrrolidin-3-yl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(3S)-5-methyl-2-oxopyrrolidin-3-yl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide (CID 71114639) is 5-cyclopropyl-N-[(3S)-5-methyl-2-oxopyrrolidin-3-yl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(3S)-5-methyl-2-oxopyrrolidin-3-yl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(3S)-5-methyl-2-oxopyrrolidin-3-yl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide is CC(C)CS(=O)(=O)c1nc(C(=O)N[C@H]2CC(C)NC2=O)ccc1C1CC1.
What is the InChIKey of 5-cyclopropyl-N-[(3S)-5-methyl-2-oxopyrrolidin-3-yl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide?
The InChIKey is XRTZCHXBZLFLSP-MHTVFEQDSA-N. The full InChI is InChI=1S/C18H25N3O4S/c1-10(2)9-26(24,25)18-13(12-4-5-12)6-7-14(21-18)16(22)20-15-8-11(3)19-17(15)23/h6-7,10-12,15H,4-5,8-9H2,1-3H3,(H,19,23)(H,20,22)/t11?,15-/m0/s1.
What are the key properties of 5-cyclopropyl-N-[(3S)-5-methyl-2-oxopyrrolidin-3-yl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide?
5-cyclopropyl-N-[(3S)-5-methyl-2-oxopyrrolidin-3-yl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide has a molecular weight of 379.48 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(3S)-5-methyl-2-oxopyrrolidin-3-yl]-6-(2-methylpropylsulfonyl)pyridine-2-carboxamide is sourced from PubChem (CID 71114639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).