N-[[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-5-hydroxy-N-methylpyridine-3-carboxamide

C16H23N3O3 — CID 164641989

IUPACN-[[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-5-hydroxy-N-methylpyridine-3-carboxamide
SMILESCN(C[C@H]1CC(=O)N(C(C)(C)C)C1)C(=O)c1cncc(O)c1
InChIInChI=1S/C16H23N3O3/c1-16(2,3)19-10-11(5-14(19)21)9-18(4)15(22)12-6-13(20)8-17-7-12/h6-8,11,20H,5,9-10H2,1-4H3/t11-/m1/s1
InChIKeyVJLLJNDBWDPLPN-LLVKDONJSA-N
MW305.38 g/mol
LogP1.51
Rot. Bonds3

About N-[[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-5-hydroxy-N-methylpyridine-3-carboxamide

N-[[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-5-hydroxy-N-methylpyridine-3-carboxamide (PubChem CID 164641989) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-5-hydroxy-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-5-hydroxy-N-methylpyridine-3-carboxamide
PubChem CID164641989
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC NameN-[[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-5-hydroxy-N-methylpyridine-3-carboxamide
SMILESCN(C[C@H]1CC(=O)N(C(C)(C)C)C1)C(=O)c1cncc(O)c1
InChIInChI=1S/C16H23N3O3/c1-16(2,3)19-10-11(5-14(19)21)9-18(4)15(22)12-6-13(20)8-17-7-12/h6-8,11,20H,5,9-10H2,1-4H3/t11-/m1/s1
InChIKeyVJLLJNDBWDPLPN-LLVKDONJSA-N
XLogP1.51
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-5-hydroxy-N-methylpyridine-3-carboxamide?
The IUPAC name of N-[[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-5-hydroxy-N-methylpyridine-3-carboxamide (CID 164641989) is N-[[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-5-hydroxy-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-5-hydroxy-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-[[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-5-hydroxy-N-methylpyridine-3-carboxamide is CN(C[C@H]1CC(=O)N(C(C)(C)C)C1)C(=O)c1cncc(O)c1.
What is the InChIKey of N-[[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-5-hydroxy-N-methylpyridine-3-carboxamide?
The InChIKey is VJLLJNDBWDPLPN-LLVKDONJSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-16(2,3)19-10-11(5-14(19)21)9-18(4)15(22)12-6-13(20)8-17-7-12/h6-8,11,20H,5,9-10H2,1-4H3/t11-/m1/s1.
What are the key properties of N-[[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-5-hydroxy-N-methylpyridine-3-carboxamide?
N-[[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-5-hydroxy-N-methylpyridine-3-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-5-hydroxy-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 164641989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).