1-[6-(pentylamino)-2-pyridinyl]ethanone

C12H18N2O — CID 68551808

IUPAC1-[6-(pentylamino)-2-pyridinyl]ethanone
SMILESCCCCCNc1cccc(C(C)=O)n1
InChIInChI=1S/C12H18N2O/c1-3-4-5-9-13-12-8-6-7-11(14-12)10(2)15/h6-8H,3-5,9H2,1-2H3,(H,13,14)
InChIKeyHUUBWMQCKRPFDQ-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.89
Rot. Bonds6

About 1-[6-(pentylamino)-2-pyridinyl]ethanone

1-[6-(pentylamino)-2-pyridinyl]ethanone (PubChem CID 68551808) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-[6-(pentylamino)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-(pentylamino)-2-pyridinyl]ethanone
PubChem CID68551808
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1-[6-(pentylamino)-2-pyridinyl]ethanone
SMILESCCCCCNc1cccc(C(C)=O)n1
InChIInChI=1S/C12H18N2O/c1-3-4-5-9-13-12-8-6-7-11(14-12)10(2)15/h6-8H,3-5,9H2,1-2H3,(H,13,14)
InChIKeyHUUBWMQCKRPFDQ-UHFFFAOYSA-N
XLogP2.89
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.89
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-N,6-N-dipentylpyridine-2,6-diamine
CID 66709787
6-[3-(ethylamino)propylamino]pyridine-2-carboxamide
CID 64587795
6-(4-hydroxyhexylamino)pyridine-2-carboxylic acid
CID 122053976
N-octan-4-yl-6-(propylamino)pyridine-2-carboxamide
CID 106027806
6-(hex-5-ynylamino)pyridine-2-carboxylic acid
CID 106213743
N-propan-2-yl-6-(propylamino)pyridine-2-carboxamide
CID 62240109
N,N-dibutyl-6-(ethylamino)pyridine-2-carboxamide
CID 62240821
N-[6-(hexylamino)-2-pyridinyl]-4-propoxybenzamide
CID 71727897
2-N,6-N-didecylpyridine-2,6-dicarboxamide
CID 4564479
N-octyl-6-(trifluoromethyl)pyridin-2-amine
CID 115568965
6-(5,5,5-trifluoropentylamino)pyridine-2-carboxylic acid
CID 115520118
7-[(6-carbamoyl-2-pyridinyl)amino]heptanoic acid
CID 64588541

Frequently Asked Questions

What is the IUPAC name of 1-[6-(pentylamino)-2-pyridinyl]ethanone?
The IUPAC name of 1-[6-(pentylamino)-2-pyridinyl]ethanone (CID 68551808) is 1-[6-(pentylamino)-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-(pentylamino)-2-pyridinyl]ethanone?
The canonical SMILES for 1-[6-(pentylamino)-2-pyridinyl]ethanone is CCCCCNc1cccc(C(C)=O)n1.
What is the InChIKey of 1-[6-(pentylamino)-2-pyridinyl]ethanone?
The InChIKey is HUUBWMQCKRPFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-3-4-5-9-13-12-8-6-7-11(14-12)10(2)15/h6-8H,3-5,9H2,1-2H3,(H,13,14).
What are the key properties of 1-[6-(pentylamino)-2-pyridinyl]ethanone?
1-[6-(pentylamino)-2-pyridinyl]ethanone has a molecular weight of 206.29 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(pentylamino)-2-pyridinyl]ethanone is sourced from PubChem (CID 68551808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).