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

C25H36N2O2 — CID 139998122

IUPAC[2-(decylamino)-3-pyridinyl]-(3-propoxyphenyl)methanone
SMILESCCCCCCCCCCNc1ncccc1C(=O)c1cccc(OCCC)c1
InChIInChI=1S/C25H36N2O2/c1-3-5-6-7-8-9-10-11-17-26-25-23(16-13-18-27-25)24(28)21-14-12-15-22(20-21)29-19-4-2/h12-16,18,20H,3-11,17,19H2,1-2H3,(H,26,27)
InChIKeyYQIXLTLDULXARV-UHFFFAOYSA-N
MW396.58 g/mol
LogP6.65
Rot. Bonds15

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

[2-(decylamino)-3-pyridinyl]-(3-propoxyphenyl)methanone (PubChem CID 139998122) has the molecular formula C25H36N2O2 and a molecular weight of 396.58 g/mol. Its IUPAC name is [2-(decylamino)-3-pyridinyl]-(3-propoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(decylamino)-3-pyridinyl]-(3-propoxyphenyl)methanone
PubChem CID139998122
Molecular FormulaC25H36N2O2
Molecular Weight396.58 g/mol
Exact Mass396.28
IUPAC Name[2-(decylamino)-3-pyridinyl]-(3-propoxyphenyl)methanone
SMILESCCCCCCCCCCNc1ncccc1C(=O)c1cccc(OCCC)c1
InChIInChI=1S/C25H36N2O2/c1-3-5-6-7-8-9-10-11-17-26-25-23(16-13-18-27-25)24(28)21-14-12-15-22(20-21)29-19-4-2/h12-16,18,20H,3-11,17,19H2,1-2H3,(H,26,27)
InChIKeyYQIXLTLDULXARV-UHFFFAOYSA-N
XLogP6.65
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.58
LogP ≤ 56.65
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-ethoxyphenyl)methanone
CID 139998041
[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-chloro-3-pyridinyl)-(3-propoxyphenyl)methanone
CID 139998072
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
1,2-bis(3-hexoxyphenyl)ethane-1,2-dione
CID 71777687

Frequently Asked Questions

What is the IUPAC name of [2-(decylamino)-3-pyridinyl]-(3-propoxyphenyl)methanone?
The IUPAC name of [2-(decylamino)-3-pyridinyl]-(3-propoxyphenyl)methanone (CID 139998122) is [2-(decylamino)-3-pyridinyl]-(3-propoxyphenyl)methanone.
What is the SMILES notation for [2-(decylamino)-3-pyridinyl]-(3-propoxyphenyl)methanone?
The canonical SMILES for [2-(decylamino)-3-pyridinyl]-(3-propoxyphenyl)methanone is CCCCCCCCCCNc1ncccc1C(=O)c1cccc(OCCC)c1.
What is the InChIKey of [2-(decylamino)-3-pyridinyl]-(3-propoxyphenyl)methanone?
The InChIKey is YQIXLTLDULXARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O2/c1-3-5-6-7-8-9-10-11-17-26-25-23(16-13-18-27-25)24(28)21-14-12-15-22(20-21)29-19-4-2/h12-16,18,20H,3-11,17,19H2,1-2H3,(H,26,27).
What are the key properties of [2-(decylamino)-3-pyridinyl]-(3-propoxyphenyl)methanone?
[2-(decylamino)-3-pyridinyl]-(3-propoxyphenyl)methanone has a molecular weight of 396.58 g/mol, XLogP of 6.65, 15 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-propoxyphenyl)methanone is sourced from PubChem (CID 139998122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).