[5-(3-chloro-4-methoxyanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone

C19H22ClN3O2 — CID 109183348

IUPAC[5-(3-chloro-4-methoxyanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
SMILESCOc1ccc(Nc2ccc(C(=O)N3CCC(C)CC3)nc2)cc1Cl
InChIInChI=1S/C19H22ClN3O2/c1-13-7-9-23(10-8-13)19(24)17-5-3-15(12-21-17)22-14-4-6-18(25-2)16(20)11-14/h3-6,11-13,22H,7-10H2,1-2H3
InChIKeyZJXJULUPUMIALL-UHFFFAOYSA-N
MW359.86 g/mol
LogP4.36
Rot. Bonds4

About [5-(3-chloro-4-methoxyanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone

[5-(3-chloro-4-methoxyanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 109183348) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is [5-(3-chloro-4-methoxyanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(3-chloro-4-methoxyanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
PubChem CID109183348
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name[5-(3-chloro-4-methoxyanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
SMILESCOc1ccc(Nc2ccc(C(=O)N3CCC(C)CC3)nc2)cc1Cl
InChIInChI=1S/C19H22ClN3O2/c1-13-7-9-23(10-8-13)19(24)17-5-3-15(12-21-17)22-14-4-6-18(25-2)16(20)11-14/h3-6,11-13,22H,7-10H2,1-2H3
InChIKeyZJXJULUPUMIALL-UHFFFAOYSA-N
XLogP4.36
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-chloro-3-[[6-(4-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]benzoate
CID 109183373
[5-(2,5-dichloroanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109183401
1-[3-[[6-(4-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]phenyl]ethanone
CID 109183366
[5-(3,4-dichloroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109181948
azepan-1-yl-[5-(3-chloro-4-methoxyanilino)pyrazin-2-yl]methanone
CID 109289240
[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109181895
5-(3-chloro-4-methoxyanilino)-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 109199601
azepan-1-yl-[5-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]methanone
CID 109196845
N-(3-chloro-4-methoxyphenyl)-5-(4-methylpiperidin-1-yl)pyrazine-2-carboxamide
CID 109275297
(3-methylpiperidin-1-yl)-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]methanone
CID 109196398
azepan-1-yl-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]methanone
CID 109196793
[5-(2-methoxyethylamino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109183238

Frequently Asked Questions

What is the IUPAC name of [5-(3-chloro-4-methoxyanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [5-(3-chloro-4-methoxyanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone (CID 109183348) is [5-(3-chloro-4-methoxyanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-(3-chloro-4-methoxyanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [5-(3-chloro-4-methoxyanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone is COc1ccc(Nc2ccc(C(=O)N3CCC(C)CC3)nc2)cc1Cl.
What is the InChIKey of [5-(3-chloro-4-methoxyanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is ZJXJULUPUMIALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-13-7-9-23(10-8-13)19(24)17-5-3-15(12-21-17)22-14-4-6-18(25-2)16(20)11-14/h3-6,11-13,22H,7-10H2,1-2H3.
What are the key properties of [5-(3-chloro-4-methoxyanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
[5-(3-chloro-4-methoxyanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 359.86 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-chloro-4-methoxyanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109183348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).