[2-(butylamino)-3-pyridinyl]-(3-methylphenyl)methanone

C17H20N2O — CID 139998213

IUPAC[2-(butylamino)-3-pyridinyl]-(3-methylphenyl)methanone
SMILESCCCCNc1ncccc1C(=O)c1cccc(C)c1
InChIInChI=1S/C17H20N2O/c1-3-4-10-18-17-15(9-6-11-19-17)16(20)14-8-5-7-13(2)12-14/h5-9,11-12H,3-4,10H2,1-2H3,(H,18,19)
InChIKeyJXPXCCWTDSFKGV-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.83
Rot. Bonds6

About [2-(butylamino)-3-pyridinyl]-(3-methylphenyl)methanone

[2-(butylamino)-3-pyridinyl]-(3-methylphenyl)methanone (PubChem CID 139998213) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is [2-(butylamino)-3-pyridinyl]-(3-methylphenyl)methanone.

Molecular Properties

Compound Name[2-(butylamino)-3-pyridinyl]-(3-methylphenyl)methanone
PubChem CID139998213
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name[2-(butylamino)-3-pyridinyl]-(3-methylphenyl)methanone
SMILESCCCCNc1ncccc1C(=O)c1cccc(C)c1
InChIInChI=1S/C17H20N2O/c1-3-4-10-18-17-15(9-6-11-19-17)16(20)14-8-5-7-13(2)12-14/h5-9,11-12H,3-4,10H2,1-2H3,(H,18,19)
InChIKeyJXPXCCWTDSFKGV-UHFFFAOYSA-N
XLogP3.83
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.83
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-ethylphenyl)-[2-(hexylamino)-3-pyridinyl]methanone
CID 139998090
[2-(decylamino)-3-pyridinyl]-(3-ethoxyphenyl)methanone
CID 139998041
(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-(butylamino)pyridine-3-carboxamide
CID 29031037
1-[2-(butylamino)-3-pyridinyl]pentan-1-one
CID 139998129
2-(hexylamino)pyridine-3-carboxylic acid
CID 14222051
2-[2-(3-methylphenyl)ethylamino]pyridine-3-carboxamide
CID 62315021
[2-(ethylamino)-3-pyridinyl]-[3-[(2-methylpropan-2-yl)oxy]phenyl]methanone
CID 139998155

Frequently Asked Questions

What is the IUPAC name of [2-(butylamino)-3-pyridinyl]-(3-methylphenyl)methanone?
The IUPAC name of [2-(butylamino)-3-pyridinyl]-(3-methylphenyl)methanone (CID 139998213) is [2-(butylamino)-3-pyridinyl]-(3-methylphenyl)methanone.
What is the SMILES notation for [2-(butylamino)-3-pyridinyl]-(3-methylphenyl)methanone?
The canonical SMILES for [2-(butylamino)-3-pyridinyl]-(3-methylphenyl)methanone is CCCCNc1ncccc1C(=O)c1cccc(C)c1.
What is the InChIKey of [2-(butylamino)-3-pyridinyl]-(3-methylphenyl)methanone?
The InChIKey is JXPXCCWTDSFKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-3-4-10-18-17-15(9-6-11-19-17)16(20)14-8-5-7-13(2)12-14/h5-9,11-12H,3-4,10H2,1-2H3,(H,18,19).
What are the key properties of [2-(butylamino)-3-pyridinyl]-(3-methylphenyl)methanone?
[2-(butylamino)-3-pyridinyl]-(3-methylphenyl)methanone has a molecular weight of 268.36 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(butylamino)-3-pyridinyl]-(3-methylphenyl)methanone is sourced from PubChem (CID 139998213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).