[5-chloro-6-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone

C20H24ClN3OS — CID 133270650

IUPAC[5-chloro-6-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCSc1ccc(CN(C)c2ncc(C(=O)N3CCCCC3)cc2Cl)cc1
InChIInChI=1S/C20H24ClN3OS/c1-23(14-15-6-8-17(26-2)9-7-15)19-18(21)12-16(13-22-19)20(25)24-10-4-3-5-11-24/h6-9,12-13H,3-5,10-11,14H2,1-2H3
InChIKeyOVPLKKNUUYCCPS-UHFFFAOYSA-N
MW389.95 g/mol
LogP4.72
Rot. Bonds5

About [5-chloro-6-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone

[5-chloro-6-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 133270650) has the molecular formula C20H24ClN3OS and a molecular weight of 389.95 g/mol. Its IUPAC name is [5-chloro-6-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-chloro-6-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone
PubChem CID133270650
Molecular FormulaC20H24ClN3OS
Molecular Weight389.95 g/mol
Exact Mass389.13
IUPAC Name[5-chloro-6-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCSc1ccc(CN(C)c2ncc(C(=O)N3CCCCC3)cc2Cl)cc1
InChIInChI=1S/C20H24ClN3OS/c1-23(14-15-6-8-17(26-2)9-7-15)19-18(21)12-16(13-22-19)20(25)24-10-4-3-5-11-24/h6-9,12-13H,3-5,10-11,14H2,1-2H3
InChIKeyOVPLKKNUUYCCPS-UHFFFAOYSA-N
XLogP4.72
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.95
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]-methylamino]acetic acid
CID 122052078
[5-chloro-6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 75396529
[5-chloro-6-[[3-(dimethylamino)phenyl]methyl-methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133385820
[5-chloro-6-[methyl(2-phenylethyl)amino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133273355
[5-chloro-6-(4-ethylphenoxy)-3-pyridinyl]-piperidin-1-ylmethanone
CID 55809533
N-benzyl-3-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]amino]-N-methylpropanamide
CID 56555861
azocan-1-yl-[5-chloro-6-(ethylamino)-3-pyridinyl]methanone
CID 62173335
[5-chloro-6-(ethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 60561390
[5-chloro-6-[(6-methyl-2-pyridinyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133271116
(6-methylsulfanyl-3-pyridinyl)-piperidin-1-ylmethanone
CID 142545270
5-amino-6-[(4-chlorophenyl)methyl-methylamino]pyridine-3-carboxylic acid
CID 81440229
N-[1-[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-4-yl]-N-methylethanesulfonamide
CID 133295403

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [5-chloro-6-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone (CID 133270650) is [5-chloro-6-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-chloro-6-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-chloro-6-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone is CSc1ccc(CN(C)c2ncc(C(=O)N3CCCCC3)cc2Cl)cc1.
What is the InChIKey of [5-chloro-6-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is OVPLKKNUUYCCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3OS/c1-23(14-15-6-8-17(26-2)9-7-15)19-18(21)12-16(13-22-19)20(25)24-10-4-3-5-11-24/h6-9,12-13H,3-5,10-11,14H2,1-2H3.
What are the key properties of [5-chloro-6-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone?
[5-chloro-6-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 389.95 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 133270650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).