(3-ethylphenyl)-[2-(hexylamino)-3-pyridinyl]methanone

C20H26N2O — CID 139998090

IUPAC(3-ethylphenyl)-[2-(hexylamino)-3-pyridinyl]methanone
SMILESCCCCCCNc1ncccc1C(=O)c1cccc(CC)c1
InChIInChI=1S/C20H26N2O/c1-3-5-6-7-13-21-20-18(12-9-14-22-20)19(23)17-11-8-10-16(4-2)15-17/h8-12,14-15H,3-7,13H2,1-2H3,(H,21,22)
InChIKeyBKCBKQMERIBKTC-UHFFFAOYSA-N
MW310.44 g/mol
LogP4.87
Rot. Bonds9

About (3-ethylphenyl)-[2-(hexylamino)-3-pyridinyl]methanone

(3-ethylphenyl)-[2-(hexylamino)-3-pyridinyl]methanone (PubChem CID 139998090) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is (3-ethylphenyl)-[2-(hexylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(3-ethylphenyl)-[2-(hexylamino)-3-pyridinyl]methanone
PubChem CID139998090
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name(3-ethylphenyl)-[2-(hexylamino)-3-pyridinyl]methanone
SMILESCCCCCCNc1ncccc1C(=O)c1cccc(CC)c1
InChIInChI=1S/C20H26N2O/c1-3-5-6-7-13-21-20-18(12-9-14-22-20)19(23)17-11-8-10-16(4-2)15-17/h8-12,14-15H,3-7,13H2,1-2H3,(H,21,22)
InChIKeyBKCBKQMERIBKTC-UHFFFAOYSA-N
XLogP4.87
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(decylamino)-3-pyridinyl]-(3-methylphenyl)methanone
CID 139998224
(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-(decylamino)-3-pyridinyl]-[3-[(2-methylpropan-2-yl)oxy]phenyl]methanone
CID 139998170
[2-(butylamino)-3-pyridinyl]-(3-methylphenyl)methanone
CID 139998213
2-(hexylamino)pyridine-3-carboxylic acid
CID 14222051
2-(butylamino)pyridine-3-carboxamide
CID 29031037
1-[2-(butylamino)-3-pyridinyl]pentan-1-one
CID 139998129
[2-(ethylamino)-3-pyridinyl]-[3-[(2-methylpropan-2-yl)oxy]phenyl]methanone
CID 139998155
1-(3-ethylphenyl)octan-1-one
CID 115788827

Frequently Asked Questions

What is the IUPAC name of (3-ethylphenyl)-[2-(hexylamino)-3-pyridinyl]methanone?
The IUPAC name of (3-ethylphenyl)-[2-(hexylamino)-3-pyridinyl]methanone (CID 139998090) is (3-ethylphenyl)-[2-(hexylamino)-3-pyridinyl]methanone.
What is the SMILES notation for (3-ethylphenyl)-[2-(hexylamino)-3-pyridinyl]methanone?
The canonical SMILES for (3-ethylphenyl)-[2-(hexylamino)-3-pyridinyl]methanone is CCCCCCNc1ncccc1C(=O)c1cccc(CC)c1.
What is the InChIKey of (3-ethylphenyl)-[2-(hexylamino)-3-pyridinyl]methanone?
The InChIKey is BKCBKQMERIBKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-3-5-6-7-13-21-20-18(12-9-14-22-20)19(23)17-11-8-10-16(4-2)15-17/h8-12,14-15H,3-7,13H2,1-2H3,(H,21,22).
What are the key properties of (3-ethylphenyl)-[2-(hexylamino)-3-pyridinyl]methanone?
(3-ethylphenyl)-[2-(hexylamino)-3-pyridinyl]methanone has a molecular weight of 310.44 g/mol, XLogP of 4.87, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylphenyl)-[2-(hexylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 139998090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).