1-[3-[[6-(4-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]phenyl]ethanone

C20H23N3O2 — CID 109183366

IUPAC1-[3-[[6-(4-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]phenyl]ethanone
SMILESCC(=O)c1cccc(Nc2ccc(C(=O)N3CCC(C)CC3)nc2)c1
InChIInChI=1S/C20H23N3O2/c1-14-8-10-23(11-9-14)20(25)19-7-6-18(13-21-19)22-17-5-3-4-16(12-17)15(2)24/h3-7,12-14,22H,8-11H2,1-2H3
InChIKeyAVZCFDAYLKUAJP-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.90
Rot. Bonds4

About 1-[3-[[6-(4-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]phenyl]ethanone

1-[3-[[6-(4-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]phenyl]ethanone (PubChem CID 109183366) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-[3-[[6-(4-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[[6-(4-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]phenyl]ethanone
PubChem CID109183366
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name1-[3-[[6-(4-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]phenyl]ethanone
SMILESCC(=O)c1cccc(Nc2ccc(C(=O)N3CCC(C)CC3)nc2)c1
InChIInChI=1S/C20H23N3O2/c1-14-8-10-23(11-9-14)20(25)19-7-6-18(13-21-19)22-17-5-3-4-16(12-17)15(2)24/h3-7,12-14,22H,8-11H2,1-2H3
InChIKeyAVZCFDAYLKUAJP-UHFFFAOYSA-N
XLogP3.90
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(3-chloro-4-methoxyanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109183348
5-(3-acetylanilino)-N-cyclohexylpyridine-2-carboxamide
CID 109183026
2-[[6-(4-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]benzonitrile
CID 109183409
[5-(2-ethylanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109183327
[5-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109183416
5-(3-acetamidoanilino)-N-(3-acetylphenyl)pyridine-2-carboxamide
CID 109200332
[5-(2,5-dichloroanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109183401
[5-(methylamino)-2-pyridinyl]-(4-methylazepan-1-yl)methanone
CID 113436179
(4-methylpiperidin-1-yl)-[5-(2-propan-2-yloxyanilino)-2-pyridinyl]methanone
CID 109183358
methyl 4-chloro-3-[[6-(4-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]benzoate
CID 109183373
3-[[6-(3-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]benzonitrile
CID 109196414
azepan-1-yl-[5-(3-methoxyanilino)-2-pyridinyl]methanone
CID 109196797

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[6-(4-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]phenyl]ethanone?
The IUPAC name of 1-[3-[[6-(4-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]phenyl]ethanone (CID 109183366) is 1-[3-[[6-(4-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]phenyl]ethanone.
What is the SMILES notation for 1-[3-[[6-(4-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]phenyl]ethanone?
The canonical SMILES for 1-[3-[[6-(4-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]phenyl]ethanone is CC(=O)c1cccc(Nc2ccc(C(=O)N3CCC(C)CC3)nc2)c1.
What is the InChIKey of 1-[3-[[6-(4-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]phenyl]ethanone?
The InChIKey is AVZCFDAYLKUAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-14-8-10-23(11-9-14)20(25)19-7-6-18(13-21-19)22-17-5-3-4-16(12-17)15(2)24/h3-7,12-14,22H,8-11H2,1-2H3.
What are the key properties of 1-[3-[[6-(4-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]phenyl]ethanone?
1-[3-[[6-(4-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]phenyl]ethanone has a molecular weight of 337.42 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[6-(4-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]phenyl]ethanone is sourced from PubChem (CID 109183366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).