1-[3-[6-(2-pyridin-4-ylethylamino)-3-pyridinyl]phenyl]ethanone

C20H19N3O — CID 126470343

IUPAC1-[3-[6-(2-pyridin-4-ylethylamino)-3-pyridinyl]phenyl]ethanone
SMILESCC(=O)c1cccc(-c2ccc(NCCc3ccncc3)nc2)c1
InChIInChI=1S/C20H19N3O/c1-15(24)17-3-2-4-18(13-17)19-5-6-20(23-14-19)22-12-9-16-7-10-21-11-8-16/h2-8,10-11,13-14H,9,12H2,1H3,(H,22,23)
InChIKeyHRVHKMLYMRKRER-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.00
Rot. Bonds6

About 1-[3-[6-(2-pyridin-4-ylethylamino)-3-pyridinyl]phenyl]ethanone

1-[3-[6-(2-pyridin-4-ylethylamino)-3-pyridinyl]phenyl]ethanone (PubChem CID 126470343) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-[3-[6-(2-pyridin-4-ylethylamino)-3-pyridinyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[6-(2-pyridin-4-ylethylamino)-3-pyridinyl]phenyl]ethanone
PubChem CID126470343
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name1-[3-[6-(2-pyridin-4-ylethylamino)-3-pyridinyl]phenyl]ethanone
SMILESCC(=O)c1cccc(-c2ccc(NCCc3ccncc3)nc2)c1
InChIInChI=1S/C20H19N3O/c1-15(24)17-3-2-4-18(13-17)19-5-6-20(23-14-19)22-12-9-16-7-10-21-11-8-16/h2-8,10-11,13-14H,9,12H2,1H3,(H,22,23)
InChIKeyHRVHKMLYMRKRER-UHFFFAOYSA-N
XLogP4.00
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-pyridin-4-ylethylamino)pyridine-3-carboxylic acid
CID 60903457
1-[3-[4-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-2-yl]phenyl]ethanone
CID 117086561
N-methyl-6-(2-phenylethylamino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109158205
N-(3-acetylphenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283988
5-bromo-N-(2-pyridin-4-ylethyl)pyridin-2-amine
CID 60904047
N-(3-acetylphenyl)-6-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109160811
N-(3-acetamidophenyl)-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 109158260
N-(3-acetylphenyl)-5-[2-(4-chlorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109285861
1-[3-[2-(2-methoxyethylamino)pyrimidin-5-yl]phenyl]ethanone
CID 163344818
2-(2-pyridin-4-ylethylamino)pyridine-4-carboxylic acid
CID 60903144
3-(2-pyridin-4-ylethylamino)benzamide
CID 107811285
3-(3-acetylphenyl)-N-[2-(4-hydroxyphenyl)ethyl]benzamide
CID 117084824

Frequently Asked Questions

What is the IUPAC name of 1-[3-[6-(2-pyridin-4-ylethylamino)-3-pyridinyl]phenyl]ethanone?
The IUPAC name of 1-[3-[6-(2-pyridin-4-ylethylamino)-3-pyridinyl]phenyl]ethanone (CID 126470343) is 1-[3-[6-(2-pyridin-4-ylethylamino)-3-pyridinyl]phenyl]ethanone.
What is the SMILES notation for 1-[3-[6-(2-pyridin-4-ylethylamino)-3-pyridinyl]phenyl]ethanone?
The canonical SMILES for 1-[3-[6-(2-pyridin-4-ylethylamino)-3-pyridinyl]phenyl]ethanone is CC(=O)c1cccc(-c2ccc(NCCc3ccncc3)nc2)c1.
What is the InChIKey of 1-[3-[6-(2-pyridin-4-ylethylamino)-3-pyridinyl]phenyl]ethanone?
The InChIKey is HRVHKMLYMRKRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-15(24)17-3-2-4-18(13-17)19-5-6-20(23-14-19)22-12-9-16-7-10-21-11-8-16/h2-8,10-11,13-14H,9,12H2,1H3,(H,22,23).
What are the key properties of 1-[3-[6-(2-pyridin-4-ylethylamino)-3-pyridinyl]phenyl]ethanone?
1-[3-[6-(2-pyridin-4-ylethylamino)-3-pyridinyl]phenyl]ethanone has a molecular weight of 317.39 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[6-(2-pyridin-4-ylethylamino)-3-pyridinyl]phenyl]ethanone is sourced from PubChem (CID 126470343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).