N-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-N,2-dimethylpyridine-3-carboxamide

C15H21N3O2 — CID 125178173

IUPACN-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-N,2-dimethylpyridine-3-carboxamide
SMILESCCN1C[C@H](CN(C)C(=O)c2cccnc2C)CC1=O
InChIInChI=1S/C15H21N3O2/c1-4-18-10-12(8-14(18)19)9-17(3)15(20)13-6-5-7-16-11(13)2/h5-7,12H,4,8-10H2,1-3H3/t12-/m0/s1
InChIKeyGLURFFQBQPJYQB-LBPRGKRZSA-N
MW275.35 g/mol
LogP1.33
Rot. Bonds4

About N-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-N,2-dimethylpyridine-3-carboxamide

N-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-N,2-dimethylpyridine-3-carboxamide (PubChem CID 125178173) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-N,2-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-N,2-dimethylpyridine-3-carboxamide
PubChem CID125178173
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-N,2-dimethylpyridine-3-carboxamide
SMILESCCN1C[C@H](CN(C)C(=O)c2cccnc2C)CC1=O
InChIInChI=1S/C15H21N3O2/c1-4-18-10-12(8-14(18)19)9-17(3)15(20)13-6-5-7-16-11(13)2/h5-7,12H,4,8-10H2,1-3H3/t12-/m0/s1
InChIKeyGLURFFQBQPJYQB-LBPRGKRZSA-N
XLogP1.33
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-N,2-dimethylpyridine-3-carboxamide?
The IUPAC name of N-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-N,2-dimethylpyridine-3-carboxamide (CID 125178173) is N-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-N,2-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-N,2-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-N,2-dimethylpyridine-3-carboxamide is CCN1C[C@H](CN(C)C(=O)c2cccnc2C)CC1=O.
What is the InChIKey of N-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-N,2-dimethylpyridine-3-carboxamide?
The InChIKey is GLURFFQBQPJYQB-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-4-18-10-12(8-14(18)19)9-17(3)15(20)13-6-5-7-16-11(13)2/h5-7,12H,4,8-10H2,1-3H3/t12-/m0/s1.
What are the key properties of N-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-N,2-dimethylpyridine-3-carboxamide?
N-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-N,2-dimethylpyridine-3-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-N,2-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 125178173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).