azocan-1-yl-[6-(propan-2-ylamino)-2-pyridinyl]methanone

C16H25N3O — CID 115498168

IUPACazocan-1-yl-[6-(propan-2-ylamino)-2-pyridinyl]methanone
SMILESCC(C)Nc1cccc(C(=O)N2CCCCCCC2)n1
InChIInChI=1S/C16H25N3O/c1-13(2)17-15-10-8-9-14(18-15)16(20)19-11-6-4-3-5-7-12-19/h8-10,13H,3-7,11-12H2,1-2H3,(H,17,18)
InChIKeyPNLQJLXZLALWTQ-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.31
Rot. Bonds3

About azocan-1-yl-[6-(propan-2-ylamino)-2-pyridinyl]methanone

azocan-1-yl-[6-(propan-2-ylamino)-2-pyridinyl]methanone (PubChem CID 115498168) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is azocan-1-yl-[6-(propan-2-ylamino)-2-pyridinyl]methanone.

Molecular Properties

Compound Nameazocan-1-yl-[6-(propan-2-ylamino)-2-pyridinyl]methanone
PubChem CID115498168
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Nameazocan-1-yl-[6-(propan-2-ylamino)-2-pyridinyl]methanone
SMILESCC(C)Nc1cccc(C(=O)N2CCCCCCC2)n1
InChIInChI=1S/C16H25N3O/c1-13(2)17-15-10-8-9-14(18-15)16(20)19-11-6-4-3-5-7-12-19/h8-10,13H,3-7,11-12H2,1-2H3,(H,17,18)
InChIKeyPNLQJLXZLALWTQ-UHFFFAOYSA-N
XLogP3.31
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

1-[4-[6-(propan-2-ylamino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 84570333
4-[6-(propan-2-ylamino)pyridine-2-carbonyl]piperazine-1-carbaldehyde
CID 84571130
(3-methylpyrrolidin-1-yl)-[6-(propan-2-ylamino)-2-pyridinyl]methanone
CID 115498253
3,4-dihydro-1H-isoquinolin-2-yl-[6-(propan-2-ylamino)-2-pyridinyl]methanone
CID 84570258
(4-ethoxypiperidin-1-yl)-[6-(propan-2-ylamino)-2-pyridinyl]methanone
CID 115498252
piperidin-1-yl-[6-(propylamino)-2-pyridinyl]methanone
CID 62239787
[3-(methoxymethyl)piperidin-1-yl]-[6-(propan-2-ylamino)-2-pyridinyl]methanone
CID 106589203
[6-(cyclopropylamino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 84570721
[2-methyl-6-(propan-2-ylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109360380
N-(2-methylpropyl)-6-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109094386
6-(piperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 43558285
6-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 134117115

Frequently Asked Questions

What is the IUPAC name of azocan-1-yl-[6-(propan-2-ylamino)-2-pyridinyl]methanone?
The IUPAC name of azocan-1-yl-[6-(propan-2-ylamino)-2-pyridinyl]methanone (CID 115498168) is azocan-1-yl-[6-(propan-2-ylamino)-2-pyridinyl]methanone.
What is the SMILES notation for azocan-1-yl-[6-(propan-2-ylamino)-2-pyridinyl]methanone?
The canonical SMILES for azocan-1-yl-[6-(propan-2-ylamino)-2-pyridinyl]methanone is CC(C)Nc1cccc(C(=O)N2CCCCCCC2)n1.
What is the InChIKey of azocan-1-yl-[6-(propan-2-ylamino)-2-pyridinyl]methanone?
The InChIKey is PNLQJLXZLALWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-13(2)17-15-10-8-9-14(18-15)16(20)19-11-6-4-3-5-7-12-19/h8-10,13H,3-7,11-12H2,1-2H3,(H,17,18).
What are the key properties of azocan-1-yl-[6-(propan-2-ylamino)-2-pyridinyl]methanone?
azocan-1-yl-[6-(propan-2-ylamino)-2-pyridinyl]methanone has a molecular weight of 275.40 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azocan-1-yl-[6-(propan-2-ylamino)-2-pyridinyl]methanone is sourced from PubChem (CID 115498168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).