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

C13H19N3O2 — CID 114040294

IUPACN-[(3-methylpiperidin-3-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide
SMILESCC1(CNC(=O)c2cccc(=O)[nH]2)CCCNC1
InChIInChI=1S/C13H19N3O2/c1-13(6-3-7-14-8-13)9-15-12(18)10-4-2-5-11(17)16-10/h2,4-5,14H,3,6-9H2,1H3,(H,15,18)(H,16,17)
InChIKeyFFJDKJHXDBBBET-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.49
Rot. Bonds3

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

N-[(3-methylpiperidin-3-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide (PubChem CID 114040294) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[(3-methylpiperidin-3-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-methylpiperidin-3-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide
PubChem CID114040294
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-[(3-methylpiperidin-3-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide
SMILESCC1(CNC(=O)c2cccc(=O)[nH]2)CCCNC1
InChIInChI=1S/C13H19N3O2/c1-13(6-3-7-14-8-13)9-15-12(18)10-4-2-5-11(17)16-10/h2,4-5,14H,3,6-9H2,1H3,(H,15,18)(H,16,17)
InChIKeyFFJDKJHXDBBBET-UHFFFAOYSA-N
XLogP0.49
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydroxy-N-[(3-methylpiperidin-3-yl)methyl]benzamide
CID 114345124
1-benzyl-3-[(3-methylpiperidin-3-yl)methyl]urea
CID 107654302
N-[(3-methylpiperidin-3-yl)methyl]pyridazine-4-carboxamide
CID 104671755
5-ethyl-N-[(3-methylpiperidin-3-yl)methyl]furan-2-carboxamide
CID 113400454
5-bromo-N-[(3-methylpiperidin-3-yl)methyl]thiophene-3-carboxamide
CID 113412084
5-chloro-N-[(3-methylpiperidin-3-yl)methyl]pyridine-2-carboxamide
CID 113400496
N-[(3-methylpiperidin-3-yl)methyl]-2-thiophen-2-ylacetamide
CID 113400474
2-fluoro-4-hydroxy-N-[(3-methylpiperidin-3-yl)methyl]benzamide
CID 107677215
3-methyl-N-[(3-methylpiperidin-3-yl)methyl]-1,2-oxazole-5-carboxamide
CID 113400462
N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide
CID 118790232
5-bromo-N-[(3-methylpiperidin-3-yl)methyl]pyridine-3-carboxamide
CID 113400479
N-[(3-methylpiperidin-3-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127311

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylpiperidin-3-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of N-[(3-methylpiperidin-3-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide (CID 114040294) is N-[(3-methylpiperidin-3-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for N-[(3-methylpiperidin-3-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for N-[(3-methylpiperidin-3-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide is CC1(CNC(=O)c2cccc(=O)[nH]2)CCCNC1.
What is the InChIKey of N-[(3-methylpiperidin-3-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide?
The InChIKey is FFJDKJHXDBBBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-13(6-3-7-14-8-13)9-15-12(18)10-4-2-5-11(17)16-10/h2,4-5,14H,3,6-9H2,1H3,(H,15,18)(H,16,17).
What are the key properties of N-[(3-methylpiperidin-3-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide?
N-[(3-methylpiperidin-3-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 0.49, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylpiperidin-3-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 114040294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).