(6-anilino-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone

C18H21N3O — CID 23725328

IUPAC(6-anilino-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2ccc(Nc3ccccc3)nc2)C1
InChIInChI=1S/C18H21N3O/c1-14-6-5-11-21(13-14)18(22)15-9-10-17(19-12-15)20-16-7-3-2-4-8-16/h2-4,7-10,12,14H,5-6,11,13H2,1H3,(H,19,20)
InChIKeyYMSIVGBAFPSSFU-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.70
Rot. Bonds3

About (6-anilino-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone

(6-anilino-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone (PubChem CID 23725328) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is (6-anilino-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(6-anilino-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
PubChem CID23725328
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name(6-anilino-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2ccc(Nc3ccccc3)nc2)C1
InChIInChI=1S/C18H21N3O/c1-14-6-5-11-21(13-14)18(22)15-9-10-17(19-12-15)20-16-7-3-2-4-8-16/h2-4,7-10,12,14H,5-6,11,13H2,1H3,(H,19,20)
InChIKeyYMSIVGBAFPSSFU-UHFFFAOYSA-N
XLogP3.70
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[5-(3-methylpiperidine-1-carbonyl)-2-pyridinyl]amino]phenyl]acetamide
CID 109161758
[6-(2-tert-butylanilino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109161744
(3-methylpiperidin-1-yl)-(6-phenyl-3-pyridinyl)methanone
CID 110683661
(6-hydrazinyl-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone
CID 62237527
(3-methylpiperidin-1-yl)-(6-pyrazol-1-yl-3-pyridinyl)methanone
CID 53014451
[2-(4-chloroanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 46226043
[2-(3-fluoroanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 109264391
[6-(ethylamino)-3-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone
CID 62180267
[6-(4-chloroanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 1441202
1-(6-methylpyridine-3-carbonyl)-N-phenylpiperidine-3-carboxamide
CID 18149048
(4-methyl-2-phenylpyrimidin-5-yl)-(3-methylpiperidin-1-yl)methanone
CID 110856145
[2-[benzyl(methyl)amino]pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 109256784

Frequently Asked Questions

What is the IUPAC name of (6-anilino-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of (6-anilino-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone (CID 23725328) is (6-anilino-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (6-anilino-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (6-anilino-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone is CC1CCCN(C(=O)c2ccc(Nc3ccccc3)nc2)C1.
What is the InChIKey of (6-anilino-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone?
The InChIKey is YMSIVGBAFPSSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-14-6-5-11-21(13-14)18(22)15-9-10-17(19-12-15)20-16-7-3-2-4-8-16/h2-4,7-10,12,14H,5-6,11,13H2,1H3,(H,19,20).
What are the key properties of (6-anilino-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone?
(6-anilino-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone has a molecular weight of 295.39 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-anilino-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 23725328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).