azepan-1-yl-[5-(2,5-dimethylanilino)-2-pyridinyl]methanone

C20H25N3O — CID 109196768

IUPACazepan-1-yl-[5-(2,5-dimethylanilino)-2-pyridinyl]methanone
SMILESCc1ccc(C)c(Nc2ccc(C(=O)N3CCCCCC3)nc2)c1
InChIInChI=1S/C20H25N3O/c1-15-7-8-16(2)19(13-15)22-17-9-10-18(21-14-17)20(24)23-11-5-3-4-6-12-23/h7-10,13-14,22H,3-6,11-12H2,1-2H3
InChIKeyCRPUIIGOFOZLNB-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.46
Rot. Bonds3

About azepan-1-yl-[5-(2,5-dimethylanilino)-2-pyridinyl]methanone

azepan-1-yl-[5-(2,5-dimethylanilino)-2-pyridinyl]methanone (PubChem CID 109196768) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is azepan-1-yl-[5-(2,5-dimethylanilino)-2-pyridinyl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[5-(2,5-dimethylanilino)-2-pyridinyl]methanone
PubChem CID109196768
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Nameazepan-1-yl-[5-(2,5-dimethylanilino)-2-pyridinyl]methanone
SMILESCc1ccc(C)c(Nc2ccc(C(=O)N3CCCCCC3)nc2)c1
InChIInChI=1S/C20H25N3O/c1-15-7-8-16(2)19(13-15)22-17-9-10-18(21-14-17)20(24)23-11-5-3-4-6-12-23/h7-10,13-14,22H,3-6,11-12H2,1-2H3
InChIKeyCRPUIIGOFOZLNB-UHFFFAOYSA-N
XLogP4.46
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[5-(2,5-dimethylanilino)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109194137
azepan-1-yl-[5-(2,5-dimethylanilino)-3-pyridinyl]methanone
CID 109241222
[5-(4-bromo-3-methylanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109181936
azepan-1-yl-[5-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]methanone
CID 109196845
azepan-1-yl-[2-(2,5-dimethylanilino)-6-methylpyrimidin-4-yl]methanone
CID 109334442
N-[4-[[6-(piperidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide
CID 109182665
4-[5-(5-chloro-2-methylanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde
CID 109186998
N-cyclopropyl-5-(2,5-dimethylanilino)pyridine-2-carboxamide
CID 109179930
[5-(2-chloroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109181885
N-[4-[[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide
CID 109181915
azepan-1-yl-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]methanone
CID 109196793
(5-anilino-2-pyridinyl)-pyrrolidin-1-ylmethanone
CID 109181859

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[5-(2,5-dimethylanilino)-2-pyridinyl]methanone?
The IUPAC name of azepan-1-yl-[5-(2,5-dimethylanilino)-2-pyridinyl]methanone (CID 109196768) is azepan-1-yl-[5-(2,5-dimethylanilino)-2-pyridinyl]methanone.
What is the SMILES notation for azepan-1-yl-[5-(2,5-dimethylanilino)-2-pyridinyl]methanone?
The canonical SMILES for azepan-1-yl-[5-(2,5-dimethylanilino)-2-pyridinyl]methanone is Cc1ccc(C)c(Nc2ccc(C(=O)N3CCCCCC3)nc2)c1.
What is the InChIKey of azepan-1-yl-[5-(2,5-dimethylanilino)-2-pyridinyl]methanone?
The InChIKey is CRPUIIGOFOZLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-15-7-8-16(2)19(13-15)22-17-9-10-18(21-14-17)20(24)23-11-5-3-4-6-12-23/h7-10,13-14,22H,3-6,11-12H2,1-2H3.
What are the key properties of azepan-1-yl-[5-(2,5-dimethylanilino)-2-pyridinyl]methanone?
azepan-1-yl-[5-(2,5-dimethylanilino)-2-pyridinyl]methanone has a molecular weight of 323.44 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[5-(2,5-dimethylanilino)-2-pyridinyl]methanone is sourced from PubChem (CID 109196768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).