azepan-1-yl-[4-(tert-butylamino)-2-pyridinyl]methanone

C16H25N3O — CID 109216956

IUPACazepan-1-yl-[4-(tert-butylamino)-2-pyridinyl]methanone
SMILESCC(C)(C)Nc1ccnc(C(=O)N2CCCCCC2)c1
InChIInChI=1S/C16H25N3O/c1-16(2,3)18-13-8-9-17-14(12-13)15(20)19-10-6-4-5-7-11-19/h8-9,12H,4-7,10-11H2,1-3H3,(H,17,18)
InChIKeyUHCCCNXVTWBJHE-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.31
Rot. Bonds2

About azepan-1-yl-[4-(tert-butylamino)-2-pyridinyl]methanone

azepan-1-yl-[4-(tert-butylamino)-2-pyridinyl]methanone (PubChem CID 109216956) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is azepan-1-yl-[4-(tert-butylamino)-2-pyridinyl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[4-(tert-butylamino)-2-pyridinyl]methanone
PubChem CID109216956
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Nameazepan-1-yl-[4-(tert-butylamino)-2-pyridinyl]methanone
SMILESCC(C)(C)Nc1ccnc(C(=O)N2CCCCCC2)c1
InChIInChI=1S/C16H25N3O/c1-16(2,3)18-13-8-9-17-14(12-13)15(20)19-10-6-4-5-7-11-19/h8-9,12H,4-7,10-11H2,1-3H3,(H,17,18)
InChIKeyUHCCCNXVTWBJHE-UHFFFAOYSA-N
XLogP3.31
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-methylpropylamino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109203044
[4-(3-methylbutylamino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109204430
azepan-1-yl-[4-(4-ethylanilino)-2-pyridinyl]methanone
CID 109218552
2-hydroxy-N-methyl-3-[[2-(piperidine-1-carbonyl)-4-pyridinyl]amino]propanamide
CID 146106337
azepan-1-yl-[4-(pyridin-4-ylmethylamino)-2-pyridinyl]methanone
CID 109213422
[2-(azepane-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109080392
methyl 4-[[2-(azepane-1-carbonyl)-4-pyridinyl]amino]benzoate
CID 109218594
azepan-1-yl-[4-[(2-methylphenyl)methylamino]-2-pyridinyl]methanone
CID 109210082
azepan-1-yl-[4-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]methanone
CID 109218598
[4-(ethylamino)-2-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 62168232
azepan-1-yl-[4-(3-fluoroanilino)-2-pyridinyl]methanone
CID 109218603
[4-(2-ethoxyanilino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109204483

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[4-(tert-butylamino)-2-pyridinyl]methanone?
The IUPAC name of azepan-1-yl-[4-(tert-butylamino)-2-pyridinyl]methanone (CID 109216956) is azepan-1-yl-[4-(tert-butylamino)-2-pyridinyl]methanone.
What is the SMILES notation for azepan-1-yl-[4-(tert-butylamino)-2-pyridinyl]methanone?
The canonical SMILES for azepan-1-yl-[4-(tert-butylamino)-2-pyridinyl]methanone is CC(C)(C)Nc1ccnc(C(=O)N2CCCCCC2)c1.
What is the InChIKey of azepan-1-yl-[4-(tert-butylamino)-2-pyridinyl]methanone?
The InChIKey is UHCCCNXVTWBJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-16(2,3)18-13-8-9-17-14(12-13)15(20)19-10-6-4-5-7-11-19/h8-9,12H,4-7,10-11H2,1-3H3,(H,17,18).
What are the key properties of azepan-1-yl-[4-(tert-butylamino)-2-pyridinyl]methanone?
azepan-1-yl-[4-(tert-butylamino)-2-pyridinyl]methanone has a molecular weight of 275.40 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[4-(tert-butylamino)-2-pyridinyl]methanone is sourced from PubChem (CID 109216956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).