[6-(4-chloroanilino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone

C18H20ClN3O — CID 23725277

IUPAC[6-(4-chloroanilino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2ccc(Nc3ccc(Cl)cc3)nc2)C1
InChIInChI=1S/C18H20ClN3O/c1-13-3-2-10-22(12-13)18(23)14-4-9-17(20-11-14)21-16-7-5-15(19)6-8-16/h4-9,11,13H,2-3,10,12H2,1H3,(H,20,21)
InChIKeyDYAMDVYBLGVRFS-UHFFFAOYSA-N
MW329.83 g/mol
LogP4.35
Rot. Bonds3

About [6-(4-chloroanilino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone

[6-(4-chloroanilino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 23725277) has the molecular formula C18H20ClN3O and a molecular weight of 329.83 g/mol. Its IUPAC name is [6-(4-chloroanilino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-(4-chloroanilino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
PubChem CID23725277
Molecular FormulaC18H20ClN3O
Molecular Weight329.83 g/mol
Exact Mass329.13
IUPAC Name[6-(4-chloroanilino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2ccc(Nc3ccc(Cl)cc3)nc2)C1
InChIInChI=1S/C18H20ClN3O/c1-13-3-2-10-22(12-13)18(23)14-4-9-17(20-11-14)21-16-7-5-15(19)6-8-16/h4-9,11,13H,2-3,10,12H2,1H3,(H,20,21)
InChIKeyDYAMDVYBLGVRFS-UHFFFAOYSA-N
XLogP4.35
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-(4-chloroanilino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [6-(4-chloroanilino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone (CID 23725277) is [6-(4-chloroanilino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [6-(4-chloroanilino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [6-(4-chloroanilino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone is CC1CCCN(C(=O)c2ccc(Nc3ccc(Cl)cc3)nc2)C1.
What is the InChIKey of [6-(4-chloroanilino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is DYAMDVYBLGVRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O/c1-13-3-2-10-22(12-13)18(23)14-4-9-17(20-11-14)21-16-7-5-15(19)6-8-16/h4-9,11,13H,2-3,10,12H2,1H3,(H,20,21).
What are the key properties of [6-(4-chloroanilino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
[6-(4-chloroanilino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 329.83 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-chloroanilino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 23725277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).