1-[6-[ethyl-[3-(2-ethyl-N,3-dimethylanilino)propyl]amino]-3-pyridinyl]ethanone

C22H31N3O — CID 143393729

IUPAC1-[6-[ethyl-[3-(2-ethyl-N,3-dimethylanilino)propyl]amino]-3-pyridinyl]ethanone
SMILESCCc1c(C)cccc1N(C)CCCN(CC)c1ccc(C(C)=O)cn1
InChIInChI=1S/C22H31N3O/c1-6-20-17(3)10-8-11-21(20)24(5)14-9-15-25(7-2)22-13-12-19(16-23-22)18(4)26/h8,10-13,16H,6-7,9,14-15H2,1-5H3
InChIKeyOBIJOMRFOPZOPS-UHFFFAOYSA-N
MW353.51 g/mol
LogP4.51
Rot. Bonds9

About 1-[6-[ethyl-[3-(2-ethyl-N,3-dimethylanilino)propyl]amino]-3-pyridinyl]ethanone

1-[6-[ethyl-[3-(2-ethyl-N,3-dimethylanilino)propyl]amino]-3-pyridinyl]ethanone (PubChem CID 143393729) has the molecular formula C22H31N3O and a molecular weight of 353.51 g/mol. Its IUPAC name is 1-[6-[ethyl-[3-(2-ethyl-N,3-dimethylanilino)propyl]amino]-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-[ethyl-[3-(2-ethyl-N,3-dimethylanilino)propyl]amino]-3-pyridinyl]ethanone
PubChem CID143393729
Molecular FormulaC22H31N3O
Molecular Weight353.51 g/mol
Exact Mass353.25
IUPAC Name1-[6-[ethyl-[3-(2-ethyl-N,3-dimethylanilino)propyl]amino]-3-pyridinyl]ethanone
SMILESCCc1c(C)cccc1N(C)CCCN(CC)c1ccc(C(C)=O)cn1
InChIInChI=1S/C22H31N3O/c1-6-20-17(3)10-8-11-21(20)24(5)14-9-15-25(7-2)22-13-12-19(16-23-22)18(4)26/h8,10-13,16H,6-7,9,14-15H2,1-5H3
InChIKeyOBIJOMRFOPZOPS-UHFFFAOYSA-N
XLogP4.51
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 6-[ethyl(2-hydroxyethyl)amino]pyridine-3-carboxylate
CID 61145395
6-[3-(dimethylamino)propyl-ethylamino]-N'-hydroxypyridine-3-carboximidamide
CID 102993616
1-[6-[butyl(3-methylpentyl)amino]-3-pyridinyl]ethanone
CID 70906617
N,N'-bis(2,6-dimethylphenyl)-N'-ethyl-N-methylpropane-1,3-diamine
CID 170189263
N-(2,3-dimethylphenyl)-6-(dipropylamino)pyridine-3-carboxamide
CID 109161803
N,N-diethyl-5-prop-1-en-2-ylpyridin-2-amine;ethane
CID 142541478
ethyl 6-[(2-ethoxy-2-oxoethyl)-ethylamino]pyridine-3-carboxylate
CID 62007392
1-[4-[ethyl(methyl)amino]-3-methylphenyl]ethanone
CID 20641435
1-[4-(diethylamino)-3-methylphenyl]ethanone
CID 82054352
N-[(2R)-2-(ethylamino)propyl]-6-[ethyl(propyl)amino]pyridine-3-carboxamide
CID 120652365
6-(diethylamino)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyridine-3-carboxamide
CID 48675917
1-[6-(dipropylamino)-3-pyridinyl]propan-1-one
CID 102546645

Frequently Asked Questions

What is the IUPAC name of 1-[6-[ethyl-[3-(2-ethyl-N,3-dimethylanilino)propyl]amino]-3-pyridinyl]ethanone?
The IUPAC name of 1-[6-[ethyl-[3-(2-ethyl-N,3-dimethylanilino)propyl]amino]-3-pyridinyl]ethanone (CID 143393729) is 1-[6-[ethyl-[3-(2-ethyl-N,3-dimethylanilino)propyl]amino]-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-[ethyl-[3-(2-ethyl-N,3-dimethylanilino)propyl]amino]-3-pyridinyl]ethanone?
The canonical SMILES for 1-[6-[ethyl-[3-(2-ethyl-N,3-dimethylanilino)propyl]amino]-3-pyridinyl]ethanone is CCc1c(C)cccc1N(C)CCCN(CC)c1ccc(C(C)=O)cn1.
What is the InChIKey of 1-[6-[ethyl-[3-(2-ethyl-N,3-dimethylanilino)propyl]amino]-3-pyridinyl]ethanone?
The InChIKey is OBIJOMRFOPZOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O/c1-6-20-17(3)10-8-11-21(20)24(5)14-9-15-25(7-2)22-13-12-19(16-23-22)18(4)26/h8,10-13,16H,6-7,9,14-15H2,1-5H3.
What are the key properties of 1-[6-[ethyl-[3-(2-ethyl-N,3-dimethylanilino)propyl]amino]-3-pyridinyl]ethanone?
1-[6-[ethyl-[3-(2-ethyl-N,3-dimethylanilino)propyl]amino]-3-pyridinyl]ethanone has a molecular weight of 353.51 g/mol, XLogP of 4.51, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[ethyl-[3-(2-ethyl-N,3-dimethylanilino)propyl]amino]-3-pyridinyl]ethanone is sourced from PubChem (CID 143393729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).