[2-(4-chloro-2,5-dimethoxyanilino)-4-pyridinyl]-piperidin-1-ylmethanone

C19H22ClN3O3 — CID 109166204

IUPAC[2-(4-chloro-2,5-dimethoxyanilino)-4-pyridinyl]-piperidin-1-ylmethanone
SMILESCOc1cc(Nc2cc(C(=O)N3CCCCC3)ccn2)c(OC)cc1Cl
InChIInChI=1S/C19H22ClN3O3/c1-25-16-12-15(17(26-2)11-14(16)20)22-18-10-13(6-7-21-18)19(24)23-8-4-3-5-9-23/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,21,22)
InChIKeyAEQWZUYNTGCLIA-UHFFFAOYSA-N
MW375.86 g/mol
LogP4.12
Rot. Bonds5

About [2-(4-chloro-2,5-dimethoxyanilino)-4-pyridinyl]-piperidin-1-ylmethanone

[2-(4-chloro-2,5-dimethoxyanilino)-4-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 109166204) has the molecular formula C19H22ClN3O3 and a molecular weight of 375.86 g/mol. Its IUPAC name is [2-(4-chloro-2,5-dimethoxyanilino)-4-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(4-chloro-2,5-dimethoxyanilino)-4-pyridinyl]-piperidin-1-ylmethanone
PubChem CID109166204
Molecular FormulaC19H22ClN3O3
Molecular Weight375.86 g/mol
Exact Mass375.13
IUPAC Name[2-(4-chloro-2,5-dimethoxyanilino)-4-pyridinyl]-piperidin-1-ylmethanone
SMILESCOc1cc(Nc2cc(C(=O)N3CCCCC3)ccn2)c(OC)cc1Cl
InChIInChI=1S/C19H22ClN3O3/c1-25-16-12-15(17(26-2)11-14(16)20)22-18-10-13(6-7-21-18)19(24)23-8-4-3-5-9-23/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,21,22)
InChIKeyAEQWZUYNTGCLIA-UHFFFAOYSA-N
XLogP4.12
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

azepan-1-yl-[2-(4-chloro-2,5-dimethoxyanilino)-4-pyridinyl]methanone
CID 109176055
azepan-1-yl-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]methanone
CID 109162064
azepan-1-yl-[2-(4-chloro-2,5-dimethoxyanilino)pyrimidin-5-yl]methanone
CID 109264943
N-butan-2-yl-2-(4-chloro-2,5-dimethoxyanilino)pyridine-4-carboxamide
CID 109165879
azepan-1-yl-[2-(2,6-dichloroanilino)-4-pyridinyl]methanone
CID 109176053
2-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylphenyl)pyridine-4-carboxamide
CID 109176191
2-(4-chloro-2,5-dimethoxyanilino)-N-methyl-N-phenylpyridine-4-carboxamide
CID 109176377
[6-(4-chloro-2,5-dimethoxyanilino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109345235
2-(4-chloro-2,5-dimethoxyanilino)-N-pentylpyridine-4-carboxamide
CID 109175390
(4-ethylpiperazin-1-yl)-[2-(2-methoxy-5-methylanilino)-4-pyridinyl]methanone
CID 109168685
[4-[[6-[(2,6-dimethylpyrimidin-4-yl)amino]pyrimidin-4-yl]amino]-3-methoxyphenyl]-pyrrolidin-1-ylmethanone
CID 168859302
[2-(3-chloro-4-methoxyanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109250016

Frequently Asked Questions

What is the IUPAC name of [2-(4-chloro-2,5-dimethoxyanilino)-4-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [2-(4-chloro-2,5-dimethoxyanilino)-4-pyridinyl]-piperidin-1-ylmethanone (CID 109166204) is [2-(4-chloro-2,5-dimethoxyanilino)-4-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-(4-chloro-2,5-dimethoxyanilino)-4-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-(4-chloro-2,5-dimethoxyanilino)-4-pyridinyl]-piperidin-1-ylmethanone is COc1cc(Nc2cc(C(=O)N3CCCCC3)ccn2)c(OC)cc1Cl.
What is the InChIKey of [2-(4-chloro-2,5-dimethoxyanilino)-4-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is AEQWZUYNTGCLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3/c1-25-16-12-15(17(26-2)11-14(16)20)22-18-10-13(6-7-21-18)19(24)23-8-4-3-5-9-23/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,21,22).
What are the key properties of [2-(4-chloro-2,5-dimethoxyanilino)-4-pyridinyl]-piperidin-1-ylmethanone?
[2-(4-chloro-2,5-dimethoxyanilino)-4-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 375.86 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloro-2,5-dimethoxyanilino)-4-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 109166204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).