azepan-1-yl-[2-(2,6-dichloroanilino)-4-pyridinyl]methanone

C18H19Cl2N3O — CID 109176053

IUPACazepan-1-yl-[2-(2,6-dichloroanilino)-4-pyridinyl]methanone
SMILESO=C(c1ccnc(Nc2c(Cl)cccc2Cl)c1)N1CCCCCC1
InChIInChI=1S/C18H19Cl2N3O/c19-14-6-5-7-15(20)17(14)22-16-12-13(8-9-21-16)18(24)23-10-3-1-2-4-11-23/h5-9,12H,1-4,10-11H2,(H,21,22)
InChIKeyJJZPOEMBSFYMQO-UHFFFAOYSA-N
MW364.28 g/mol
LogP5.15
Rot. Bonds3

About azepan-1-yl-[2-(2,6-dichloroanilino)-4-pyridinyl]methanone

azepan-1-yl-[2-(2,6-dichloroanilino)-4-pyridinyl]methanone (PubChem CID 109176053) has the molecular formula C18H19Cl2N3O and a molecular weight of 364.28 g/mol. Its IUPAC name is azepan-1-yl-[2-(2,6-dichloroanilino)-4-pyridinyl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[2-(2,6-dichloroanilino)-4-pyridinyl]methanone
PubChem CID109176053
Molecular FormulaC18H19Cl2N3O
Molecular Weight364.28 g/mol
Exact Mass363.09
IUPAC Nameazepan-1-yl-[2-(2,6-dichloroanilino)-4-pyridinyl]methanone
SMILESO=C(c1ccnc(Nc2c(Cl)cccc2Cl)c1)N1CCCCCC1
InChIInChI=1S/C18H19Cl2N3O/c19-14-6-5-7-15(20)17(14)22-16-12-13(8-9-21-16)18(24)23-10-3-1-2-4-11-23/h5-9,12H,1-4,10-11H2,(H,21,22)
InChIKeyJJZPOEMBSFYMQO-UHFFFAOYSA-N
XLogP5.15
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 ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dichlorophenyl)-4-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081176
4-(azepane-1-carbonyl)-N-(2,6-dichlorophenyl)pyridine-2-carboxamide
CID 109090713
piperidin-1-yl-[2-(4-pyrrolidin-1-ylanilino)-4-pyridinyl]methanone
CID 109166180
[2-[(3-chloro-2-methylphenyl)methylamino]-4-pyridinyl]-piperidin-1-ylmethanone
CID 134710185
azepan-1-yl-[2-(4-chloro-2,5-dimethoxyanilino)-4-pyridinyl]methanone
CID 109176055
[2-(4-chloro-2,5-dimethoxyanilino)-4-pyridinyl]-piperidin-1-ylmethanone
CID 109166204
[2-(4-bromo-3-methylanilino)-4-pyridinyl]-piperidin-1-ylmethanone
CID 109166192
[2-(azepane-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109080392
azepan-1-yl-[2-(3-bromo-4-methylanilino)-4-pyridinyl]methanone
CID 109176020
N-(2,6-difluorophenyl)-4-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081186
[4-(2,6-dichloroanilino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109206553
azetidin-1-yl-(2-chloro-4-pyridinyl)methanone
CID 58113908

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[2-(2,6-dichloroanilino)-4-pyridinyl]methanone?
The IUPAC name of azepan-1-yl-[2-(2,6-dichloroanilino)-4-pyridinyl]methanone (CID 109176053) is azepan-1-yl-[2-(2,6-dichloroanilino)-4-pyridinyl]methanone.
What is the SMILES notation for azepan-1-yl-[2-(2,6-dichloroanilino)-4-pyridinyl]methanone?
The canonical SMILES for azepan-1-yl-[2-(2,6-dichloroanilino)-4-pyridinyl]methanone is O=C(c1ccnc(Nc2c(Cl)cccc2Cl)c1)N1CCCCCC1.
What is the InChIKey of azepan-1-yl-[2-(2,6-dichloroanilino)-4-pyridinyl]methanone?
The InChIKey is JJZPOEMBSFYMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O/c19-14-6-5-7-15(20)17(14)22-16-12-13(8-9-21-16)18(24)23-10-3-1-2-4-11-23/h5-9,12H,1-4,10-11H2,(H,21,22).
What are the key properties of azepan-1-yl-[2-(2,6-dichloroanilino)-4-pyridinyl]methanone?
azepan-1-yl-[2-(2,6-dichloroanilino)-4-pyridinyl]methanone has a molecular weight of 364.28 g/mol, XLogP of 5.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[2-(2,6-dichloroanilino)-4-pyridinyl]methanone is sourced from PubChem (CID 109176053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).