ethane;N-[2-[4-[5-ethyl-6-(methylamino)-2-pyridinyl]butylamino]ethyl]acetamide

C18H34N4O — CID 153342726

IUPACethane;N-[2-[4-[5-ethyl-6-(methylamino)-2-pyridinyl]butylamino]ethyl]acetamide
SMILESCC.CCc1ccc(CCCCNCCNC(C)=O)nc1NC
InChIInChI=1S/C16H28N4O.C2H6/c1-4-14-8-9-15(20-16(14)17-3)7-5-6-10-18-11-12-19-13(2)21;1-2/h8-9,18H,4-7,10-12H2,1-3H3,(H,17,20)(H,19,21);1-2H3
InChIKeyJHFKHDUCLVHEIB-UHFFFAOYSA-N
MW322.50 g/mol
LogP2.76
Rot. Bonds10

About ethane;N-[2-[4-[5-ethyl-6-(methylamino)-2-pyridinyl]butylamino]ethyl]acetamide

ethane;N-[2-[4-[5-ethyl-6-(methylamino)-2-pyridinyl]butylamino]ethyl]acetamide (PubChem CID 153342726) has the molecular formula C18H34N4O and a molecular weight of 322.50 g/mol. Its IUPAC name is ethane;N-[2-[4-[5-ethyl-6-(methylamino)-2-pyridinyl]butylamino]ethyl]acetamide.

Molecular Properties

Compound Nameethane;N-[2-[4-[5-ethyl-6-(methylamino)-2-pyridinyl]butylamino]ethyl]acetamide
PubChem CID153342726
Molecular FormulaC18H34N4O
Molecular Weight322.50 g/mol
Exact Mass322.27
IUPAC Nameethane;N-[2-[4-[5-ethyl-6-(methylamino)-2-pyridinyl]butylamino]ethyl]acetamide
SMILESCC.CCc1ccc(CCCCNCCNC(C)=O)nc1NC
InChIInChI=1S/C16H28N4O.C2H6/c1-4-14-8-9-15(20-16(14)17-3)7-5-6-10-18-11-12-19-13(2)21;1-2/h8-9,18H,4-7,10-12H2,1-3H3,(H,17,20)(H,19,21);1-2H3
InChIKeyJHFKHDUCLVHEIB-UHFFFAOYSA-N
XLogP2.76
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;N-[2-[4-[5-ethyl-6-(methylamino)-2-pyridinyl]butylamino]ethyl]acetamide?
The IUPAC name of ethane;N-[2-[4-[5-ethyl-6-(methylamino)-2-pyridinyl]butylamino]ethyl]acetamide (CID 153342726) is ethane;N-[2-[4-[5-ethyl-6-(methylamino)-2-pyridinyl]butylamino]ethyl]acetamide.
What is the SMILES notation for ethane;N-[2-[4-[5-ethyl-6-(methylamino)-2-pyridinyl]butylamino]ethyl]acetamide?
The canonical SMILES for ethane;N-[2-[4-[5-ethyl-6-(methylamino)-2-pyridinyl]butylamino]ethyl]acetamide is CC.CCc1ccc(CCCCNCCNC(C)=O)nc1NC.
What is the InChIKey of ethane;N-[2-[4-[5-ethyl-6-(methylamino)-2-pyridinyl]butylamino]ethyl]acetamide?
The InChIKey is JHFKHDUCLVHEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O.C2H6/c1-4-14-8-9-15(20-16(14)17-3)7-5-6-10-18-11-12-19-13(2)21;1-2/h8-9,18H,4-7,10-12H2,1-3H3,(H,17,20)(H,19,21);1-2H3.
What are the key properties of ethane;N-[2-[4-[5-ethyl-6-(methylamino)-2-pyridinyl]butylamino]ethyl]acetamide?
ethane;N-[2-[4-[5-ethyl-6-(methylamino)-2-pyridinyl]butylamino]ethyl]acetamide has a molecular weight of 322.50 g/mol, XLogP of 2.76, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[2-[4-[5-ethyl-6-(methylamino)-2-pyridinyl]butylamino]ethyl]acetamide is sourced from PubChem (CID 153342726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).