azepan-1-yl-[5-(3-methoxyanilino)-2-pyridinyl]methanone

C19H23N3O2 — CID 109196797

IUPACazepan-1-yl-[5-(3-methoxyanilino)-2-pyridinyl]methanone
SMILESCOc1cccc(Nc2ccc(C(=O)N3CCCCCC3)nc2)c1
InChIInChI=1S/C19H23N3O2/c1-24-17-8-6-7-15(13-17)21-16-9-10-18(20-14-16)19(23)22-11-4-2-3-5-12-22/h6-10,13-14,21H,2-5,11-12H2,1H3
InChIKeyUZNROGMAXDUQJC-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.85
Rot. Bonds4

About azepan-1-yl-[5-(3-methoxyanilino)-2-pyridinyl]methanone

azepan-1-yl-[5-(3-methoxyanilino)-2-pyridinyl]methanone (PubChem CID 109196797) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is azepan-1-yl-[5-(3-methoxyanilino)-2-pyridinyl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[5-(3-methoxyanilino)-2-pyridinyl]methanone
PubChem CID109196797
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Nameazepan-1-yl-[5-(3-methoxyanilino)-2-pyridinyl]methanone
SMILESCOc1cccc(Nc2ccc(C(=O)N3CCCCCC3)nc2)c1
InChIInChI=1S/C19H23N3O2/c1-24-17-8-6-7-15(13-17)21-16-9-10-18(20-14-16)19(23)22-11-4-2-3-5-12-22/h6-10,13-14,21H,2-5,11-12H2,1H3
InChIKeyUZNROGMAXDUQJC-UHFFFAOYSA-N
XLogP3.85
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(3-methoxyanilino)-2-pyridinyl]methanone
CID 109193851
[5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109181814
(5-anilino-2-pyridinyl)-pyrrolidin-1-ylmethanone
CID 109181859
piperidin-1-yl-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methanone
CID 109182660
3-[[6-(azepane-1-carbonyl)-3-pyridinyl]amino]benzonitrile
CID 109196849
2,3-dihydroindol-1-yl-[5-(3-methoxyanilino)-2-pyridinyl]methanone
CID 109197759
1-[4-[5-(4-methoxyanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109187301
[5-(3,4-dichloroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109181948
N-[4-[[6-(piperidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide
CID 109182665
N-[4-[[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide
CID 109181915
[5-(4-bromo-3-methylanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109181936
[5-(2-phenoxyanilino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109182693

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[5-(3-methoxyanilino)-2-pyridinyl]methanone?
The IUPAC name of azepan-1-yl-[5-(3-methoxyanilino)-2-pyridinyl]methanone (CID 109196797) is azepan-1-yl-[5-(3-methoxyanilino)-2-pyridinyl]methanone.
What is the SMILES notation for azepan-1-yl-[5-(3-methoxyanilino)-2-pyridinyl]methanone?
The canonical SMILES for azepan-1-yl-[5-(3-methoxyanilino)-2-pyridinyl]methanone is COc1cccc(Nc2ccc(C(=O)N3CCCCCC3)nc2)c1.
What is the InChIKey of azepan-1-yl-[5-(3-methoxyanilino)-2-pyridinyl]methanone?
The InChIKey is UZNROGMAXDUQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-24-17-8-6-7-15(13-17)21-16-9-10-18(20-14-16)19(23)22-11-4-2-3-5-12-22/h6-10,13-14,21H,2-5,11-12H2,1H3.
What are the key properties of azepan-1-yl-[5-(3-methoxyanilino)-2-pyridinyl]methanone?
azepan-1-yl-[5-(3-methoxyanilino)-2-pyridinyl]methanone has a molecular weight of 325.41 g/mol, XLogP of 3.85, 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-(3-methoxyanilino)-2-pyridinyl]methanone is sourced from PubChem (CID 109196797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).