azepan-1-yl-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]methanone

C19H22ClN3O2 — CID 109196793

IUPACazepan-1-yl-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]methanone
SMILESCOc1ccc(Cl)cc1Nc1ccc(C(=O)N2CCCCCC2)nc1
InChIInChI=1S/C19H22ClN3O2/c1-25-18-9-6-14(20)12-17(18)22-15-7-8-16(21-13-15)19(24)23-10-4-2-3-5-11-23/h6-9,12-13,22H,2-5,10-11H2,1H3
InChIKeyYYPILVBHJSKEFP-UHFFFAOYSA-N
MW359.86 g/mol
LogP4.50
Rot. Bonds4

About azepan-1-yl-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]methanone

azepan-1-yl-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]methanone (PubChem CID 109196793) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is azepan-1-yl-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]methanone
PubChem CID109196793
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Nameazepan-1-yl-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]methanone
SMILESCOc1ccc(Cl)cc1Nc1ccc(C(=O)N2CCCCCC2)nc1
InChIInChI=1S/C19H22ClN3O2/c1-25-18-9-6-14(20)12-17(18)22-15-7-8-16(21-13-15)19(24)23-10-4-2-3-5-11-23/h6-9,12-13,22H,2-5,10-11H2,1H3
InChIKeyYYPILVBHJSKEFP-UHFFFAOYSA-N
XLogP4.50
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 ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109181895
azepan-1-yl-[5-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]methanone
CID 109196845
5-(5-chloro-2-methoxyanilino)-N-propylpyridine-2-carboxamide
CID 109179165
5-(5-chloro-2-methoxyanilino)-N-methyl-N-phenylpyridine-2-carboxamide
CID 109197586
[5-(2-chloroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109181885
azepan-1-yl-[5-(3-methoxyanilino)-2-pyridinyl]methanone
CID 109196797
[5-(2,5-dichloroanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109183401
azepan-1-yl-[5-(3-chloro-4-methoxyanilino)pyrazin-2-yl]methanone
CID 109289240
[5-(3,4-dichloroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109181948
azepan-1-yl-[5-(2,5-dimethylanilino)-2-pyridinyl]methanone
CID 109196768
[5-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 109186744
[5-(5-chloro-2-methoxyanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 109288721

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]methanone?
The IUPAC name of azepan-1-yl-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]methanone (CID 109196793) is azepan-1-yl-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]methanone.
What is the SMILES notation for azepan-1-yl-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]methanone?
The canonical SMILES for azepan-1-yl-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]methanone is COc1ccc(Cl)cc1Nc1ccc(C(=O)N2CCCCCC2)nc1.
What is the InChIKey of azepan-1-yl-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]methanone?
The InChIKey is YYPILVBHJSKEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-25-18-9-6-14(20)12-17(18)22-15-7-8-16(21-13-15)19(24)23-10-4-2-3-5-11-23/h6-9,12-13,22H,2-5,10-11H2,1H3.
What are the key properties of azepan-1-yl-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]methanone?
azepan-1-yl-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]methanone has a molecular weight of 359.86 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]methanone is sourced from PubChem (CID 109196793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).