[2-(azepane-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone

C17H23N3O2 — CID 109080392

IUPAC[2-(azepane-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccnc(C(=O)N2CCCCCC2)c1)N1CCCC1
InChIInChI=1S/C17H23N3O2/c21-16(19-11-5-6-12-19)14-7-8-18-15(13-14)17(22)20-9-3-1-2-4-10-20/h7-8,13H,1-6,9-12H2
InChIKeyQNRCHMRHGGFKLX-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.33
Rot. Bonds2

About [2-(azepane-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone

[2-(azepane-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 109080392) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is [2-(azepane-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(azepane-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
PubChem CID109080392
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name[2-(azepane-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccnc(C(=O)N2CCCCCC2)c1)N1CCCC1
InChIInChI=1S/C17H23N3O2/c21-16(19-11-5-6-12-19)14-7-8-18-15(13-14)17(22)20-9-3-1-2-4-10-20/h7-8,13H,1-6,9-12H2
InChIKeyQNRCHMRHGGFKLX-UHFFFAOYSA-N
XLogP2.33
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

piperidin-1-yl-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-4-pyridinyl]methanone
CID 109081080
[2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109080358
(4-piperidin-1-yl-2-pyridinyl)-pyrrolidin-1-ylmethanone
CID 109203615
piperidin-1-yl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 109203804
[2-(azepane-1-carbonyl)-4-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109090729
pyrrolidin-1-yl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 10776780
N-cyclohexyl-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109080315
N-phenyl-4-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081096
N-(4-bromophenyl)-2-(piperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081299
2-(azepane-1-carbonyl)-N-(4-chlorophenyl)pyridine-4-carboxamide
CID 109090752
N-tert-butyl-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109080380
2-(piperidine-1-carbonyl)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide
CID 109081281

Frequently Asked Questions

What is the IUPAC name of [2-(azepane-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-(azepane-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone (CID 109080392) is [2-(azepane-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-(azepane-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-(azepane-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone is O=C(c1ccnc(C(=O)N2CCCCCC2)c1)N1CCCC1.
What is the InChIKey of [2-(azepane-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone?
The InChIKey is QNRCHMRHGGFKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c21-16(19-11-5-6-12-19)14-7-8-18-15(13-14)17(22)20-9-3-1-2-4-10-20/h7-8,13H,1-6,9-12H2.
What are the key properties of [2-(azepane-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone?
[2-(azepane-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 301.39 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(azepane-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 109080392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).