[5-chloro-6-(4-methylanilino)-3-pyridinyl]-piperidin-1-ylmethanone

C18H20ClN3O — CID 56584592

IUPAC[5-chloro-6-(4-methylanilino)-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCc1ccc(Nc2ncc(C(=O)N3CCCCC3)cc2Cl)cc1
InChIInChI=1S/C18H20ClN3O/c1-13-5-7-15(8-6-13)21-17-16(19)11-14(12-20-17)18(23)22-9-3-2-4-10-22/h5-8,11-12H,2-4,9-10H2,1H3,(H,20,21)
InChIKeyVFAGWRLJNBLINM-UHFFFAOYSA-N
MW329.83 g/mol
LogP4.41
Rot. Bonds3

About [5-chloro-6-(4-methylanilino)-3-pyridinyl]-piperidin-1-ylmethanone

[5-chloro-6-(4-methylanilino)-3-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 56584592) has the molecular formula C18H20ClN3O and a molecular weight of 329.83 g/mol. Its IUPAC name is [5-chloro-6-(4-methylanilino)-3-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-chloro-6-(4-methylanilino)-3-pyridinyl]-piperidin-1-ylmethanone
PubChem CID56584592
Molecular FormulaC18H20ClN3O
Molecular Weight329.83 g/mol
Exact Mass329.13
IUPAC Name[5-chloro-6-(4-methylanilino)-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCc1ccc(Nc2ncc(C(=O)N3CCCCC3)cc2Cl)cc1
InChIInChI=1S/C18H20ClN3O/c1-13-5-7-15(8-6-13)21-17-16(19)11-14(12-20-17)18(23)22-9-3-2-4-10-22/h5-8,11-12H,2-4,9-10H2,1H3,(H,20,21)
InChIKeyVFAGWRLJNBLINM-UHFFFAOYSA-N
XLogP4.41
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 ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-chloro-6-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 56584778
azocan-1-yl-[5-chloro-6-(ethylamino)-3-pyridinyl]methanone
CID 62173335
[5-chloro-6-(ethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 60561390
ethane;[6-(4-methoxyanilino)-5-methyl-3-pyridinyl]-piperidin-1-ylmethanone
CID 163260959
[5-chloro-6-(4-chloroanilino)-3-pyridinyl]-(3-ethylpiperidin-1-yl)methanone
CID 23725539
1-[5-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]amino]-2-methoxyphenyl]pyrrolidin-2-one
CID 56584943
[5-chloro-6-(cyclopentylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270710
[5-chloro-6-[(3-methylthiophen-2-yl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270919
[5-chloro-6-[(2-methylpyrimidin-5-yl)amino]-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 23725491
[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[(3Z)-3-ethylidenepiperidin-1-yl]methanone
CID 66869605
[5-chloro-6-[(6-methyl-2-pyridinyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133271116
[5-chloro-6-[(2-methyl-3-piperidin-1-ylpropyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 56587654

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-(4-methylanilino)-3-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [5-chloro-6-(4-methylanilino)-3-pyridinyl]-piperidin-1-ylmethanone (CID 56584592) is [5-chloro-6-(4-methylanilino)-3-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-chloro-6-(4-methylanilino)-3-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-chloro-6-(4-methylanilino)-3-pyridinyl]-piperidin-1-ylmethanone is Cc1ccc(Nc2ncc(C(=O)N3CCCCC3)cc2Cl)cc1.
What is the InChIKey of [5-chloro-6-(4-methylanilino)-3-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is VFAGWRLJNBLINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O/c1-13-5-7-15(8-6-13)21-17-16(19)11-14(12-20-17)18(23)22-9-3-2-4-10-22/h5-8,11-12H,2-4,9-10H2,1H3,(H,20,21).
What are the key properties of [5-chloro-6-(4-methylanilino)-3-pyridinyl]-piperidin-1-ylmethanone?
[5-chloro-6-(4-methylanilino)-3-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 329.83 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-(4-methylanilino)-3-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 56584592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).