N-[[2-(diethylamino)-3-pyridinyl]methyl]-2-pyridin-4-ylacetamide

C17H22N4O — CID 42520251

IUPACN-[[2-(diethylamino)-3-pyridinyl]methyl]-2-pyridin-4-ylacetamide
SMILESCCN(CC)c1ncccc1CNC(=O)Cc1ccncc1
InChIInChI=1S/C17H22N4O/c1-3-21(4-2)17-15(6-5-9-19-17)13-20-16(22)12-14-7-10-18-11-8-14/h5-11H,3-4,12-13H2,1-2H3,(H,20,22)
InChIKeyCMSXWNOTFPCYDR-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.18
Rot. Bonds7

About N-[[2-(diethylamino)-3-pyridinyl]methyl]-2-pyridin-4-ylacetamide

N-[[2-(diethylamino)-3-pyridinyl]methyl]-2-pyridin-4-ylacetamide (PubChem CID 42520251) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[[2-(diethylamino)-3-pyridinyl]methyl]-2-pyridin-4-ylacetamide.

Molecular Properties

Compound NameN-[[2-(diethylamino)-3-pyridinyl]methyl]-2-pyridin-4-ylacetamide
PubChem CID42520251
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-[[2-(diethylamino)-3-pyridinyl]methyl]-2-pyridin-4-ylacetamide
SMILESCCN(CC)c1ncccc1CNC(=O)Cc1ccncc1
InChIInChI=1S/C17H22N4O/c1-3-21(4-2)17-15(6-5-9-19-17)13-20-16(22)12-14-7-10-18-11-8-14/h5-11H,3-4,12-13H2,1-2H3,(H,20,22)
InChIKeyCMSXWNOTFPCYDR-UHFFFAOYSA-N
XLogP2.18
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-(diethylamino)-3-pyridinyl]methyl]-3-propylurea
CID 26318583
N-[[2-(diethylamino)-3-pyridinyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 56744678
3-[(tert-butylamino)methyl]-N,N-diethylpyridin-2-amine
CID 62285753
(2S)-N-[[2-(diethylamino)-3-pyridinyl]methyl]-2-(2-methylimidazol-1-yl)propanamide
CID 95226094
N-[[2-(aminomethyl)phenyl]methyl]-2-pyridin-4-ylacetamide
CID 62951184
N-[[2-(diethylamino)-3-pyridinyl]methyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56748172
N-[[2-(diethylamino)-3-pyridinyl]methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 56706974
4-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]butanamide
CID 119850383
4-N-[[2-(diethylamino)-3-pyridinyl]methyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 42565685
2-(dimethylamino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 110299234
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-(1H-indol-3-yl)acetamide
CID 46463836
7-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]heptanamide
CID 119850321

Frequently Asked Questions

What is the IUPAC name of N-[[2-(diethylamino)-3-pyridinyl]methyl]-2-pyridin-4-ylacetamide?
The IUPAC name of N-[[2-(diethylamino)-3-pyridinyl]methyl]-2-pyridin-4-ylacetamide (CID 42520251) is N-[[2-(diethylamino)-3-pyridinyl]methyl]-2-pyridin-4-ylacetamide.
What is the SMILES notation for N-[[2-(diethylamino)-3-pyridinyl]methyl]-2-pyridin-4-ylacetamide?
The canonical SMILES for N-[[2-(diethylamino)-3-pyridinyl]methyl]-2-pyridin-4-ylacetamide is CCN(CC)c1ncccc1CNC(=O)Cc1ccncc1.
What is the InChIKey of N-[[2-(diethylamino)-3-pyridinyl]methyl]-2-pyridin-4-ylacetamide?
The InChIKey is CMSXWNOTFPCYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-3-21(4-2)17-15(6-5-9-19-17)13-20-16(22)12-14-7-10-18-11-8-14/h5-11H,3-4,12-13H2,1-2H3,(H,20,22).
What are the key properties of N-[[2-(diethylamino)-3-pyridinyl]methyl]-2-pyridin-4-ylacetamide?
N-[[2-(diethylamino)-3-pyridinyl]methyl]-2-pyridin-4-ylacetamide has a molecular weight of 298.39 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(diethylamino)-3-pyridinyl]methyl]-2-pyridin-4-ylacetamide is sourced from PubChem (CID 42520251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).