(3S)-N-(5-methoxypyrimidin-2-yl)-N-methyl-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide

C16H24N4O3 — CID 164629697

IUPAC(3S)-N-(5-methoxypyrimidin-2-yl)-N-methyl-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide
SMILESCCC(CC)N1C[C@@H](C(=O)N(C)c2ncc(OC)cn2)CC1=O
InChIInChI=1S/C16H24N4O3/c1-5-12(6-2)20-10-11(7-14(20)21)15(22)19(3)16-17-8-13(23-4)9-18-16/h8-9,11-12H,5-7,10H2,1-4H3/t11-/m0/s1
InChIKeyZSOADAHSVGHRHE-NSHDSACASA-N
MW320.39 g/mol
LogP1.49
Rot. Bonds6

About (3S)-N-(5-methoxypyrimidin-2-yl)-N-methyl-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide

(3S)-N-(5-methoxypyrimidin-2-yl)-N-methyl-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide (PubChem CID 164629697) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is (3S)-N-(5-methoxypyrimidin-2-yl)-N-methyl-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(5-methoxypyrimidin-2-yl)-N-methyl-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide
PubChem CID164629697
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name(3S)-N-(5-methoxypyrimidin-2-yl)-N-methyl-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide
SMILESCCC(CC)N1C[C@@H](C(=O)N(C)c2ncc(OC)cn2)CC1=O
InChIInChI=1S/C16H24N4O3/c1-5-12(6-2)20-10-11(7-14(20)21)15(22)19(3)16-17-8-13(23-4)9-18-16/h8-9,11-12H,5-7,10H2,1-4H3/t11-/m0/s1
InChIKeyZSOADAHSVGHRHE-NSHDSACASA-N
XLogP1.49
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-(5-methoxypyrimidin-2-yl)-N-methyl-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-(5-methoxypyrimidin-2-yl)-N-methyl-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide (CID 164629697) is (3S)-N-(5-methoxypyrimidin-2-yl)-N-methyl-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(5-methoxypyrimidin-2-yl)-N-methyl-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-(5-methoxypyrimidin-2-yl)-N-methyl-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide is CCC(CC)N1C[C@@H](C(=O)N(C)c2ncc(OC)cn2)CC1=O.
What is the InChIKey of (3S)-N-(5-methoxypyrimidin-2-yl)-N-methyl-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide?
The InChIKey is ZSOADAHSVGHRHE-NSHDSACASA-N. The full InChI is InChI=1S/C16H24N4O3/c1-5-12(6-2)20-10-11(7-14(20)21)15(22)19(3)16-17-8-13(23-4)9-18-16/h8-9,11-12H,5-7,10H2,1-4H3/t11-/m0/s1.
What are the key properties of (3S)-N-(5-methoxypyrimidin-2-yl)-N-methyl-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide?
(3S)-N-(5-methoxypyrimidin-2-yl)-N-methyl-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 1.49, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(5-methoxypyrimidin-2-yl)-N-methyl-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 164629697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).