N-[[2-(diethylamino)-3-pyridinyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide

C17H22N4O2 — CID 56744678

IUPACN-[[2-(diethylamino)-3-pyridinyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide
SMILESCCN(CC)c1ncccc1CNC(=O)c1ccc(=O)n(C)c1
InChIInChI=1S/C17H22N4O2/c1-4-21(5-2)16-13(7-6-10-18-16)11-19-17(23)14-8-9-15(22)20(3)12-14/h6-10,12H,4-5,11H2,1-3H3,(H,19,23)
InChIKeyVRWJMGMPZFETCC-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.56
Rot. Bonds6

About N-[[2-(diethylamino)-3-pyridinyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide

N-[[2-(diethylamino)-3-pyridinyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide (PubChem CID 56744678) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[[2-(diethylamino)-3-pyridinyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(diethylamino)-3-pyridinyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide
PubChem CID56744678
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-[[2-(diethylamino)-3-pyridinyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide
SMILESCCN(CC)c1ncccc1CNC(=O)c1ccc(=O)n(C)c1
InChIInChI=1S/C17H22N4O2/c1-4-21(5-2)16-13(7-6-10-18-16)11-19-17(23)14-8-9-15(22)20(3)12-14/h6-10,12H,4-5,11H2,1-3H3,(H,19,23)
InChIKeyVRWJMGMPZFETCC-UHFFFAOYSA-N
XLogP1.56
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(diethylamino)-3-pyridinyl]methyl]-2-pyridin-4-ylacetamide
CID 42520251
1-[[2-(diethylamino)-3-pyridinyl]methyl]-3-propylurea
CID 26318583
N-[[2-(diethylamino)-3-pyridinyl]methyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56748172
(2S)-N-[[2-(diethylamino)-3-pyridinyl]methyl]-2-(2-methylimidazol-1-yl)propanamide
CID 95226094
N-[[2-(diethylamino)-3-pyridinyl]methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 56706974
4-N-[[2-(diethylamino)-3-pyridinyl]methyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 42565685
N-[(6-fluoro-2-methyl-3-pyridinyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 159706557
3-[(tert-butylamino)methyl]-N,N-diethylpyridin-2-amine
CID 62285753
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 55692569
1-methyl-N-[(3-methylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 110692988
1-methyl-6-oxo-N-trimethylsilylpyridine-3-carboxamide
CID 610623
4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]benzamide
CID 55692811

Frequently Asked Questions

What is the IUPAC name of N-[[2-(diethylamino)-3-pyridinyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide?
The IUPAC name of N-[[2-(diethylamino)-3-pyridinyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide (CID 56744678) is N-[[2-(diethylamino)-3-pyridinyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[[2-(diethylamino)-3-pyridinyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-[[2-(diethylamino)-3-pyridinyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide is CCN(CC)c1ncccc1CNC(=O)c1ccc(=O)n(C)c1.
What is the InChIKey of N-[[2-(diethylamino)-3-pyridinyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide?
The InChIKey is VRWJMGMPZFETCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-4-21(5-2)16-13(7-6-10-18-16)11-19-17(23)14-8-9-15(22)20(3)12-14/h6-10,12H,4-5,11H2,1-3H3,(H,19,23).
What are the key properties of N-[[2-(diethylamino)-3-pyridinyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide?
N-[[2-(diethylamino)-3-pyridinyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(diethylamino)-3-pyridinyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 56744678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).