[2-(decylamino)-3-pyridinyl]-(3-ethoxyphenyl)methanone

C24H34N2O2 — CID 139998041

IUPAC[2-(decylamino)-3-pyridinyl]-(3-ethoxyphenyl)methanone
SMILESCCCCCCCCCCNc1ncccc1C(=O)c1cccc(OCC)c1
InChIInChI=1S/C24H34N2O2/c1-3-5-6-7-8-9-10-11-17-25-24-22(16-13-18-26-24)23(27)20-14-12-15-21(19-20)28-4-2/h12-16,18-19H,3-11,17H2,1-2H3,(H,25,26)
InChIKeyLSHGAEZOCZPVNT-UHFFFAOYSA-N
MW382.55 g/mol
LogP6.26
Rot. Bonds14

About [2-(decylamino)-3-pyridinyl]-(3-ethoxyphenyl)methanone

[2-(decylamino)-3-pyridinyl]-(3-ethoxyphenyl)methanone (PubChem CID 139998041) has the molecular formula C24H34N2O2 and a molecular weight of 382.55 g/mol. Its IUPAC name is [2-(decylamino)-3-pyridinyl]-(3-ethoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(decylamino)-3-pyridinyl]-(3-ethoxyphenyl)methanone
PubChem CID139998041
Molecular FormulaC24H34N2O2
Molecular Weight382.55 g/mol
Exact Mass382.26
IUPAC Name[2-(decylamino)-3-pyridinyl]-(3-ethoxyphenyl)methanone
SMILESCCCCCCCCCCNc1ncccc1C(=O)c1cccc(OCC)c1
InChIInChI=1S/C24H34N2O2/c1-3-5-6-7-8-9-10-11-17-25-24-22(16-13-18-26-24)23(27)20-14-12-15-21(19-20)28-4-2/h12-16,18-19H,3-11,17H2,1-2H3,(H,25,26)
InChIKeyLSHGAEZOCZPVNT-UHFFFAOYSA-N
XLogP6.26
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.55
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3-ethoxyphenyl)-[2-(octylamino)-3-pyridinyl]methanone
CID 139998068
[2-(decylamino)-3-pyridinyl]-(3-propoxyphenyl)methanone
CID 139998122
[2-(hexylamino)-3-pyridinyl]-(3-propan-2-yloxyphenyl)methanone
CID 139998195
[2-(decylamino)-3-pyridinyl]-[3-[(2-methylpropan-2-yl)oxy]phenyl]methanone
CID 139998170
[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-(ethylamino)-3-pyridinyl]-[3-[(2-methylpropan-2-yl)oxy]phenyl]methanone
CID 139998155
2-(butylamino)pyridine-3-carboxamide
CID 29031037
[3-[(3-methoxyphenyl)methoxy]phenyl]-[2-(methylamino)-3-pyridinyl]methanone
CID 139998031

Frequently Asked Questions

What is the IUPAC name of [2-(decylamino)-3-pyridinyl]-(3-ethoxyphenyl)methanone?
The IUPAC name of [2-(decylamino)-3-pyridinyl]-(3-ethoxyphenyl)methanone (CID 139998041) is [2-(decylamino)-3-pyridinyl]-(3-ethoxyphenyl)methanone.
What is the SMILES notation for [2-(decylamino)-3-pyridinyl]-(3-ethoxyphenyl)methanone?
The canonical SMILES for [2-(decylamino)-3-pyridinyl]-(3-ethoxyphenyl)methanone is CCCCCCCCCCNc1ncccc1C(=O)c1cccc(OCC)c1.
What is the InChIKey of [2-(decylamino)-3-pyridinyl]-(3-ethoxyphenyl)methanone?
The InChIKey is LSHGAEZOCZPVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O2/c1-3-5-6-7-8-9-10-11-17-25-24-22(16-13-18-26-24)23(27)20-14-12-15-21(19-20)28-4-2/h12-16,18-19H,3-11,17H2,1-2H3,(H,25,26).
What are the key properties of [2-(decylamino)-3-pyridinyl]-(3-ethoxyphenyl)methanone?
[2-(decylamino)-3-pyridinyl]-(3-ethoxyphenyl)methanone has a molecular weight of 382.55 g/mol, XLogP of 6.26, 14 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-ethoxyphenyl)methanone is sourced from PubChem (CID 139998041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).