[5-(2,5-dichloroanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone

C18H19Cl2N3O — CID 109183401

IUPAC[5-(2,5-dichloroanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccc(Nc3cc(Cl)ccc3Cl)cn2)CC1
InChIInChI=1S/C18H19Cl2N3O/c1-12-6-8-23(9-7-12)18(24)16-5-3-14(11-21-16)22-17-10-13(19)2-4-15(17)20/h2-5,10-12,22H,6-9H2,1H3
InChIKeyPGPVRNIXHNPDQC-UHFFFAOYSA-N
MW364.28 g/mol
LogP5.00
Rot. Bonds3

About [5-(2,5-dichloroanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone

[5-(2,5-dichloroanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 109183401) has the molecular formula C18H19Cl2N3O and a molecular weight of 364.28 g/mol. Its IUPAC name is [5-(2,5-dichloroanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(2,5-dichloroanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
PubChem CID109183401
Molecular FormulaC18H19Cl2N3O
Molecular Weight364.28 g/mol
Exact Mass363.09
IUPAC Name[5-(2,5-dichloroanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccc(Nc3cc(Cl)ccc3Cl)cn2)CC1
InChIInChI=1S/C18H19Cl2N3O/c1-12-6-8-23(9-7-12)18(24)16-5-3-14(11-21-16)22-17-10-13(19)2-4-15(17)20/h2-5,10-12,22H,6-9H2,1H3
InChIKeyPGPVRNIXHNPDQC-UHFFFAOYSA-N
XLogP5.00
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.28
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-chloro-3-[[6-(4-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]benzoate
CID 109183373
[5-(3-chloro-4-methoxyanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109183348
[5-(2-ethylanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109183327
[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109181895
[5-(2,4-dichloroanilino)pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 109275168
azepan-1-yl-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]methanone
CID 109196793
2-[[6-(4-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]benzonitrile
CID 109183409
[5-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109183416
(4-methylpiperidin-1-yl)-[5-(2-propan-2-yloxyanilino)-2-pyridinyl]methanone
CID 109183358
4-[5-(5-chloro-2-methylanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde
CID 109186998
[5-(2-chloroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109181885
1-[3-[[6-(4-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]phenyl]ethanone
CID 109183366

Frequently Asked Questions

What is the IUPAC name of [5-(2,5-dichloroanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [5-(2,5-dichloroanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone (CID 109183401) is [5-(2,5-dichloroanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-(2,5-dichloroanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [5-(2,5-dichloroanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2ccc(Nc3cc(Cl)ccc3Cl)cn2)CC1.
What is the InChIKey of [5-(2,5-dichloroanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is PGPVRNIXHNPDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O/c1-12-6-8-23(9-7-12)18(24)16-5-3-14(11-21-16)22-17-10-13(19)2-4-15(17)20/h2-5,10-12,22H,6-9H2,1H3.
What are the key properties of [5-(2,5-dichloroanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
[5-(2,5-dichloroanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 364.28 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,5-dichloroanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109183401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).