N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide

C18H22N4O2 — CID 128971727

IUPACN-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C18H22N4O2/c1-21-9-7-15(17(21)13-4-3-8-19-10-13)12-22(2)18(24)14-5-6-16(23)20-11-14/h3-6,8,10-11,15,17H,7,9,12H2,1-2H3,(H,20,23)/t15-,17-/m0/s1
InChIKeyOWKXVLONTKEVEU-RDJZCZTQSA-N
MW326.40 g/mol
LogP1.53
Rot. Bonds4

About N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide

N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 128971727) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID128971727
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C18H22N4O2/c1-21-9-7-15(17(21)13-4-3-8-19-10-13)12-22(2)18(24)14-5-6-16(23)20-11-14/h3-6,8,10-11,15,17H,7,9,12H2,1-2H3,(H,20,23)/t15-,17-/m0/s1
InChIKeyOWKXVLONTKEVEU-RDJZCZTQSA-N
XLogP1.53
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide (CID 128971727) is N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide is CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is OWKXVLONTKEVEU-RDJZCZTQSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-21-9-7-15(17(21)13-4-3-8-19-10-13)12-22(2)18(24)14-5-6-16(23)20-11-14/h3-6,8,10-11,15,17H,7,9,12H2,1-2H3,(H,20,23)/t15-,17-/m0/s1.
What are the key properties of N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide?
N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 128971727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).