2-(dimethylamino)-N-ethyl-2-pyridin-3-yl-N-(2-pyridin-4-ylethyl)acetamide

C18H24N4O — CID 110753926

IUPAC2-(dimethylamino)-N-ethyl-2-pyridin-3-yl-N-(2-pyridin-4-ylethyl)acetamide
SMILESCCN(CCc1ccncc1)C(=O)C(c1cccnc1)N(C)C
InChIInChI=1S/C18H24N4O/c1-4-22(13-9-15-7-11-19-12-8-15)18(23)17(21(2)3)16-6-5-10-20-14-16/h5-8,10-12,14,17H,4,9,13H2,1-3H3
InChIKeyJKSZMKZXIUQSMJ-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.17
Rot. Bonds7

About 2-(dimethylamino)-N-ethyl-2-pyridin-3-yl-N-(2-pyridin-4-ylethyl)acetamide

2-(dimethylamino)-N-ethyl-2-pyridin-3-yl-N-(2-pyridin-4-ylethyl)acetamide (PubChem CID 110753926) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-(dimethylamino)-N-ethyl-2-pyridin-3-yl-N-(2-pyridin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-ethyl-2-pyridin-3-yl-N-(2-pyridin-4-ylethyl)acetamide
PubChem CID110753926
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name2-(dimethylamino)-N-ethyl-2-pyridin-3-yl-N-(2-pyridin-4-ylethyl)acetamide
SMILESCCN(CCc1ccncc1)C(=O)C(c1cccnc1)N(C)C
InChIInChI=1S/C18H24N4O/c1-4-22(13-9-15-7-11-19-12-8-15)18(23)17(21(2)3)16-6-5-10-20-14-16/h5-8,10-12,14,17H,4,9,13H2,1-3H3
InChIKeyJKSZMKZXIUQSMJ-UHFFFAOYSA-N
XLogP2.17
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(dimethylamino)-N-methyl-2-pyridin-3-ylacetamide
CID 110753905
N,N,N'-triethyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108526067
2-(dimethylamino)-2-pyridin-3-ylacetamide;dihydrochloride
CID 67492420
3-amino-N-ethyl-N-(2-pyridin-4-ylethyl)propanamide
CID 22692037
2-(diethylamino)-2-pyridin-3-ylacetic acid
CID 43803724
N-ethyl-N-(2-pyridin-4-ylethyl)pentanamide
CID 110755648
N,N-diethyl-3-pyridin-3-ylbutanamide
CID 110649111
(2R)-N-ethyl-2-morpholin-4-yl-2-pyridin-3-yl-N-(pyridin-4-ylmethyl)acetamide
CID 97154727
(2S)-N-ethyl-2-morpholin-4-yl-2-pyridin-3-yl-N-(pyridin-4-ylmethyl)acetamide
CID 97154728
2-(4-bromophenyl)ethyl-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]carbamic acid
CID 69102888
3-(dimethylamino)-2-methyl-3-pyridin-3-ylprop-1-en-1-one
CID 87271853
2-pyridin-3-yl-2-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]acetamide
CID 142792038

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-ethyl-2-pyridin-3-yl-N-(2-pyridin-4-ylethyl)acetamide?
The IUPAC name of 2-(dimethylamino)-N-ethyl-2-pyridin-3-yl-N-(2-pyridin-4-ylethyl)acetamide (CID 110753926) is 2-(dimethylamino)-N-ethyl-2-pyridin-3-yl-N-(2-pyridin-4-ylethyl)acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-ethyl-2-pyridin-3-yl-N-(2-pyridin-4-ylethyl)acetamide?
The canonical SMILES for 2-(dimethylamino)-N-ethyl-2-pyridin-3-yl-N-(2-pyridin-4-ylethyl)acetamide is CCN(CCc1ccncc1)C(=O)C(c1cccnc1)N(C)C.
What is the InChIKey of 2-(dimethylamino)-N-ethyl-2-pyridin-3-yl-N-(2-pyridin-4-ylethyl)acetamide?
The InChIKey is JKSZMKZXIUQSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-4-22(13-9-15-7-11-19-12-8-15)18(23)17(21(2)3)16-6-5-10-20-14-16/h5-8,10-12,14,17H,4,9,13H2,1-3H3.
What are the key properties of 2-(dimethylamino)-N-ethyl-2-pyridin-3-yl-N-(2-pyridin-4-ylethyl)acetamide?
2-(dimethylamino)-N-ethyl-2-pyridin-3-yl-N-(2-pyridin-4-ylethyl)acetamide has a molecular weight of 312.42 g/mol, XLogP of 2.17, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-ethyl-2-pyridin-3-yl-N-(2-pyridin-4-ylethyl)acetamide is sourced from PubChem (CID 110753926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).