N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N,3-dimethylpyridine-2-carboxamide

C15H23N3O2 — CID 128981937

IUPACN-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N,3-dimethylpyridine-2-carboxamide
SMILESCO[C@H]1C[C@@H](CN(C)C(=O)c2ncccc2C)N(C)C1
InChIInChI=1S/C15H23N3O2/c1-11-6-5-7-16-14(11)15(19)18(3)9-12-8-13(20-4)10-17(12)2/h5-7,12-13H,8-10H2,1-4H3/t12-,13-/m0/s1
InChIKeyNTTGDUUWBWKTOM-STQMWFEESA-N
MW277.37 g/mol
LogP1.18
Rot. Bonds4

About N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N,3-dimethylpyridine-2-carboxamide

N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N,3-dimethylpyridine-2-carboxamide (PubChem CID 128981937) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N,3-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N,3-dimethylpyridine-2-carboxamide
PubChem CID128981937
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N,3-dimethylpyridine-2-carboxamide
SMILESCO[C@H]1C[C@@H](CN(C)C(=O)c2ncccc2C)N(C)C1
InChIInChI=1S/C15H23N3O2/c1-11-6-5-7-16-14(11)15(19)18(3)9-12-8-13(20-4)10-17(12)2/h5-7,12-13H,8-10H2,1-4H3/t12-,13-/m0/s1
InChIKeyNTTGDUUWBWKTOM-STQMWFEESA-N
XLogP1.18
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N,3-dimethylpyridine-2-carboxamide?
The IUPAC name of N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N,3-dimethylpyridine-2-carboxamide (CID 128981937) is N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N,3-dimethylpyridine-2-carboxamide.
What is the SMILES notation for N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N,3-dimethylpyridine-2-carboxamide?
The canonical SMILES for N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N,3-dimethylpyridine-2-carboxamide is CO[C@H]1C[C@@H](CN(C)C(=O)c2ncccc2C)N(C)C1.
What is the InChIKey of N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N,3-dimethylpyridine-2-carboxamide?
The InChIKey is NTTGDUUWBWKTOM-STQMWFEESA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11-6-5-7-16-14(11)15(19)18(3)9-12-8-13(20-4)10-17(12)2/h5-7,12-13H,8-10H2,1-4H3/t12-,13-/m0/s1.
What are the key properties of N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N,3-dimethylpyridine-2-carboxamide?
N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N,3-dimethylpyridine-2-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 1.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N,3-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 128981937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).