[2-(decylamino)-3-pyridinyl]-[3-[(2-methylpropan-2-yl)oxy]phenyl]methanone

C26H38N2O2 — CID 139998170

IUPAC[2-(decylamino)-3-pyridinyl]-[3-[(2-methylpropan-2-yl)oxy]phenyl]methanone
SMILESCCCCCCCCCCNc1ncccc1C(=O)c1cccc(OC(C)(C)C)c1
InChIInChI=1S/C26H38N2O2/c1-5-6-7-8-9-10-11-12-18-27-25-23(17-14-19-28-25)24(29)21-15-13-16-22(20-21)30-26(2,3)4/h13-17,19-20H,5-12,18H2,1-4H3,(H,27,28)
InChIKeyVCPRWZMYXWUYQE-UHFFFAOYSA-N
MW410.60 g/mol
LogP7.04
Rot. Bonds13

About [2-(decylamino)-3-pyridinyl]-[3-[(2-methylpropan-2-yl)oxy]phenyl]methanone

[2-(decylamino)-3-pyridinyl]-[3-[(2-methylpropan-2-yl)oxy]phenyl]methanone (PubChem CID 139998170) has the molecular formula C26H38N2O2 and a molecular weight of 410.60 g/mol. Its IUPAC name is [2-(decylamino)-3-pyridinyl]-[3-[(2-methylpropan-2-yl)oxy]phenyl]methanone.

Molecular Properties

Compound Name[2-(decylamino)-3-pyridinyl]-[3-[(2-methylpropan-2-yl)oxy]phenyl]methanone
PubChem CID139998170
Molecular FormulaC26H38N2O2
Molecular Weight410.60 g/mol
Exact Mass410.29
IUPAC Name[2-(decylamino)-3-pyridinyl]-[3-[(2-methylpropan-2-yl)oxy]phenyl]methanone
SMILESCCCCCCCCCCNc1ncccc1C(=O)c1cccc(OC(C)(C)C)c1
InChIInChI=1S/C26H38N2O2/c1-5-6-7-8-9-10-11-12-18-27-25-23(17-14-19-28-25)24(29)21-15-13-16-22(20-21)30-26(2,3)4/h13-17,19-20H,5-12,18H2,1-4H3,(H,27,28)
InChIKeyVCPRWZMYXWUYQE-UHFFFAOYSA-N
XLogP7.04
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.60
LogP ≤ 57.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [2-(decylamino)-3-pyridinyl]-[3-[(2-methylpropan-2-yl)oxy]phenyl]methanone with MolForge

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Related Compounds

(3-ethoxyphenyl)-[2-(octylamino)-3-pyridinyl]methanone
CID 139998068
[2-(decylamino)-3-pyridinyl]-(3-ethoxyphenyl)methanone
CID 139998041
[2-(decylamino)-3-pyridinyl]-(3-propoxyphenyl)methanone
CID 139998122
[2-(hexylamino)-3-pyridinyl]-(3-propan-2-yloxyphenyl)methanone
CID 139998195
[2-(ethylamino)-3-pyridinyl]-[3-[(2-methylpropan-2-yl)oxy]phenyl]methanone
CID 139998155
[2-(decylamino)-3-pyridinyl]-(3-methylphenyl)methanone
CID 139998224
(3-ethylphenyl)-[2-(hexylamino)-3-pyridinyl]methanone
CID 139998090
[2-(butylamino)-3-pyridinyl]-(3-methylphenyl)methanone
CID 139998213
2-(hexylamino)pyridine-3-carboxylic acid
CID 14222051
[2-(ethylamino)-3-pyridinyl]-[3-(2-methylpropoxy)phenyl]methanone
CID 139998143
2-(butylamino)pyridine-3-carboxamide
CID 29031037
(3-butan-2-yloxyphenyl)-[2-(propan-2-ylamino)-3-pyridinyl]methanone
CID 139998176

Frequently Asked Questions

What is the IUPAC name of [2-(decylamino)-3-pyridinyl]-[3-[(2-methylpropan-2-yl)oxy]phenyl]methanone?
The IUPAC name of [2-(decylamino)-3-pyridinyl]-[3-[(2-methylpropan-2-yl)oxy]phenyl]methanone (CID 139998170) is [2-(decylamino)-3-pyridinyl]-[3-[(2-methylpropan-2-yl)oxy]phenyl]methanone.
What is the SMILES notation for [2-(decylamino)-3-pyridinyl]-[3-[(2-methylpropan-2-yl)oxy]phenyl]methanone?
The canonical SMILES for [2-(decylamino)-3-pyridinyl]-[3-[(2-methylpropan-2-yl)oxy]phenyl]methanone is CCCCCCCCCCNc1ncccc1C(=O)c1cccc(OC(C)(C)C)c1.
What is the InChIKey of [2-(decylamino)-3-pyridinyl]-[3-[(2-methylpropan-2-yl)oxy]phenyl]methanone?
The InChIKey is VCPRWZMYXWUYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N2O2/c1-5-6-7-8-9-10-11-12-18-27-25-23(17-14-19-28-25)24(29)21-15-13-16-22(20-21)30-26(2,3)4/h13-17,19-20H,5-12,18H2,1-4H3,(H,27,28).
What are the key properties of [2-(decylamino)-3-pyridinyl]-[3-[(2-methylpropan-2-yl)oxy]phenyl]methanone?
[2-(decylamino)-3-pyridinyl]-[3-[(2-methylpropan-2-yl)oxy]phenyl]methanone has a molecular weight of 410.60 g/mol, XLogP of 7.04, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(decylamino)-3-pyridinyl]-[3-[(2-methylpropan-2-yl)oxy]phenyl]methanone is sourced from PubChem (CID 139998170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).