[5-bromo-2-(propylamino)-3-pyridinyl]-(4-methylazepan-1-yl)methanone

C16H24BrN3O — CID 63627596

IUPAC[5-bromo-2-(propylamino)-3-pyridinyl]-(4-methylazepan-1-yl)methanone
SMILESCCCNc1ncc(Br)cc1C(=O)N1CCCC(C)CC1
InChIInChI=1S/C16H24BrN3O/c1-3-7-18-15-14(10-13(17)11-19-15)16(21)20-8-4-5-12(2)6-9-20/h10-12H,3-9H2,1-2H3,(H,18,19)
InChIKeyNFOSQRQLRULWGB-UHFFFAOYSA-N
MW354.29 g/mol
LogP3.93
Rot. Bonds4

About [5-bromo-2-(propylamino)-3-pyridinyl]-(4-methylazepan-1-yl)methanone

[5-bromo-2-(propylamino)-3-pyridinyl]-(4-methylazepan-1-yl)methanone (PubChem CID 63627596) has the molecular formula C16H24BrN3O and a molecular weight of 354.29 g/mol. Its IUPAC name is [5-bromo-2-(propylamino)-3-pyridinyl]-(4-methylazepan-1-yl)methanone.

Molecular Properties

Compound Name[5-bromo-2-(propylamino)-3-pyridinyl]-(4-methylazepan-1-yl)methanone
PubChem CID63627596
Molecular FormulaC16H24BrN3O
Molecular Weight354.29 g/mol
Exact Mass353.11
IUPAC Name[5-bromo-2-(propylamino)-3-pyridinyl]-(4-methylazepan-1-yl)methanone
SMILESCCCNc1ncc(Br)cc1C(=O)N1CCCC(C)CC1
InChIInChI=1S/C16H24BrN3O/c1-3-7-18-15-14(10-13(17)11-19-15)16(21)20-8-4-5-12(2)6-9-20/h10-12H,3-9H2,1-2H3,(H,18,19)
InChIKeyNFOSQRQLRULWGB-UHFFFAOYSA-N
XLogP3.93
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-bromo-2-(propylamino)-3-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 62186045
[5-bromo-2-(propylamino)-3-pyridinyl]-(1,4-oxazepan-4-yl)methanone
CID 62967844
[5-bromo-2-(propylamino)-3-pyridinyl]-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 104968772
[5-bromo-2-(propylamino)-3-pyridinyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 62172208
[5-bromo-2-(ethylamino)-3-pyridinyl]-(4-ethylpiperidin-1-yl)methanone
CID 62176736
5-bromo-N-cyclobutyl-2-(propylamino)pyridine-3-carboxamide
CID 62414263
[5-bromo-2-(ethylamino)-3-pyridinyl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114681677
5-bromo-N-cycloheptyl-2-(propylamino)pyridine-3-carboxamide
CID 63501657
(3-methylpiperidin-1-yl)-[2-(propylamino)-3-pyridinyl]methanone
CID 62172051
5-bromo-N-(1-methylpiperidin-4-yl)-2-(propylamino)pyridine-3-carboxamide
CID 62169500
5-bromo-2-(propylamino)pyridine-3-carboxamide
CID 62167210
5-bromo-N-cyclopropyl-N-ethyl-2-(propylamino)pyridine-3-carboxamide
CID 62167913

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(propylamino)-3-pyridinyl]-(4-methylazepan-1-yl)methanone?
The IUPAC name of [5-bromo-2-(propylamino)-3-pyridinyl]-(4-methylazepan-1-yl)methanone (CID 63627596) is [5-bromo-2-(propylamino)-3-pyridinyl]-(4-methylazepan-1-yl)methanone.
What is the SMILES notation for [5-bromo-2-(propylamino)-3-pyridinyl]-(4-methylazepan-1-yl)methanone?
The canonical SMILES for [5-bromo-2-(propylamino)-3-pyridinyl]-(4-methylazepan-1-yl)methanone is CCCNc1ncc(Br)cc1C(=O)N1CCCC(C)CC1.
What is the InChIKey of [5-bromo-2-(propylamino)-3-pyridinyl]-(4-methylazepan-1-yl)methanone?
The InChIKey is NFOSQRQLRULWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3O/c1-3-7-18-15-14(10-13(17)11-19-15)16(21)20-8-4-5-12(2)6-9-20/h10-12H,3-9H2,1-2H3,(H,18,19).
What are the key properties of [5-bromo-2-(propylamino)-3-pyridinyl]-(4-methylazepan-1-yl)methanone?
[5-bromo-2-(propylamino)-3-pyridinyl]-(4-methylazepan-1-yl)methanone has a molecular weight of 354.29 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-(propylamino)-3-pyridinyl]-(4-methylazepan-1-yl)methanone is sourced from PubChem (CID 63627596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).