N-[(3-hydroxypiperidin-3-yl)methyl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide

C13H19N3O3 — CID 77094414

IUPACN-[(3-hydroxypiperidin-3-yl)methyl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCC2(O)CCCNC2)cc(=O)[nH]1
InChIInChI=1S/C13H19N3O3/c1-9-5-10(6-11(17)16-9)12(18)15-8-13(19)3-2-4-14-7-13/h5-6,14,19H,2-4,7-8H2,1H3,(H,15,18)(H,16,17)
InChIKeyYVLBGDFVLRIZPW-UHFFFAOYSA-N
MW265.31 g/mol
LogP-0.47
Rot. Bonds3

About N-[(3-hydroxypiperidin-3-yl)methyl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide

N-[(3-hydroxypiperidin-3-yl)methyl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide (PubChem CID 77094414) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-[(3-hydroxypiperidin-3-yl)methyl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxypiperidin-3-yl)methyl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide
PubChem CID77094414
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-[(3-hydroxypiperidin-3-yl)methyl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCC2(O)CCCNC2)cc(=O)[nH]1
InChIInChI=1S/C13H19N3O3/c1-9-5-10(6-11(17)16-9)12(18)15-8-13(19)3-2-4-14-7-13/h5-6,14,19H,2-4,7-8H2,1H3,(H,15,18)(H,16,17)
InChIKeyYVLBGDFVLRIZPW-UHFFFAOYSA-N
XLogP-0.47
TPSA94.22 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 5-0.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxypiperidin-3-yl)methyl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of N-[(3-hydroxypiperidin-3-yl)methyl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide (CID 77094414) is N-[(3-hydroxypiperidin-3-yl)methyl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for N-[(3-hydroxypiperidin-3-yl)methyl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for N-[(3-hydroxypiperidin-3-yl)methyl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide is Cc1cc(C(=O)NCC2(O)CCCNC2)cc(=O)[nH]1.
What is the InChIKey of N-[(3-hydroxypiperidin-3-yl)methyl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide?
The InChIKey is YVLBGDFVLRIZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9-5-10(6-11(17)16-9)12(18)15-8-13(19)3-2-4-14-7-13/h5-6,14,19H,2-4,7-8H2,1H3,(H,15,18)(H,16,17).
What are the key properties of N-[(3-hydroxypiperidin-3-yl)methyl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide?
N-[(3-hydroxypiperidin-3-yl)methyl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide has a molecular weight of 265.31 g/mol, XLogP of -0.47, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxypiperidin-3-yl)methyl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 77094414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).