5-[(2S)-1-acetylpiperidin-2-yl]-1-methyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]pyrrole-2-carboxamide

C19H24N4O3 — CID 129331568

IUPAC5-[(2S)-1-acetylpiperidin-2-yl]-1-methyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]pyrrole-2-carboxamide
SMILESCC(=O)N1CCCC[C@H]1c1ccc(C(=O)NCc2ccc(=O)[nH]c2)n1C
InChIInChI=1S/C19H24N4O3/c1-13(24)23-10-4-3-5-16(23)15-7-8-17(22(15)2)19(26)21-12-14-6-9-18(25)20-11-14/h6-9,11,16H,3-5,10,12H2,1-2H3,(H,20,25)(H,21,26)/t16-/m0/s1
InChIKeyJPQQMWJVFMWJRM-INIZCTEOSA-N
MW356.43 g/mol
LogP1.72
Rot. Bonds4

About 5-[(2S)-1-acetylpiperidin-2-yl]-1-methyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]pyrrole-2-carboxamide

5-[(2S)-1-acetylpiperidin-2-yl]-1-methyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]pyrrole-2-carboxamide (PubChem CID 129331568) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 5-[(2S)-1-acetylpiperidin-2-yl]-1-methyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name5-[(2S)-1-acetylpiperidin-2-yl]-1-methyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]pyrrole-2-carboxamide
PubChem CID129331568
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name5-[(2S)-1-acetylpiperidin-2-yl]-1-methyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]pyrrole-2-carboxamide
SMILESCC(=O)N1CCCC[C@H]1c1ccc(C(=O)NCc2ccc(=O)[nH]c2)n1C
InChIInChI=1S/C19H24N4O3/c1-13(24)23-10-4-3-5-16(23)15-7-8-17(22(15)2)19(26)21-12-14-6-9-18(25)20-11-14/h6-9,11,16H,3-5,10,12H2,1-2H3,(H,20,25)(H,21,26)/t16-/m0/s1
InChIKeyJPQQMWJVFMWJRM-INIZCTEOSA-N
XLogP1.72
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-1-acetylpiperidin-2-yl]-1-methyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]pyrrole-2-carboxamide?
The IUPAC name of 5-[(2S)-1-acetylpiperidin-2-yl]-1-methyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]pyrrole-2-carboxamide (CID 129331568) is 5-[(2S)-1-acetylpiperidin-2-yl]-1-methyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]pyrrole-2-carboxamide.
What is the SMILES notation for 5-[(2S)-1-acetylpiperidin-2-yl]-1-methyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]pyrrole-2-carboxamide?
The canonical SMILES for 5-[(2S)-1-acetylpiperidin-2-yl]-1-methyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]pyrrole-2-carboxamide is CC(=O)N1CCCC[C@H]1c1ccc(C(=O)NCc2ccc(=O)[nH]c2)n1C.
What is the InChIKey of 5-[(2S)-1-acetylpiperidin-2-yl]-1-methyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]pyrrole-2-carboxamide?
The InChIKey is JPQQMWJVFMWJRM-INIZCTEOSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-13(24)23-10-4-3-5-16(23)15-7-8-17(22(15)2)19(26)21-12-14-6-9-18(25)20-11-14/h6-9,11,16H,3-5,10,12H2,1-2H3,(H,20,25)(H,21,26)/t16-/m0/s1.
What are the key properties of 5-[(2S)-1-acetylpiperidin-2-yl]-1-methyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]pyrrole-2-carboxamide?
5-[(2S)-1-acetylpiperidin-2-yl]-1-methyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]pyrrole-2-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-1-acetylpiperidin-2-yl]-1-methyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 129331568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).