1-[6-(4-amino-3-methylbutyl)-3-pyridinyl]pyridin-2-one;1-(6-amino-3-pyridinyl)pyridin-2-one;5-iodopyridin-2-amine;1-[6-[3-methyl-5-(5-methylsulfanylpyrimidin-2-yl)pentyl]-3-pyridinyl]pyridin-2-one;1-[6-(3-methylpentyl)-3-pyridinyl]pyridin-2-one

C67H77IN14O4S — CID 161140233

IUPAC1-[6-(4-amino-3-methylbutyl)-3-pyridinyl]pyridin-2-one;1-(6-amino-3-pyridinyl)pyridin-2-one;5-iodopyridin-2-amine;1-[6-[3-methyl-5-(5-methylsulfanylpyrimidin-2-yl)pentyl]-3-pyridinyl]pyridin-2-one;1-[6-(3-methylpentyl)-3-pyridinyl]pyridin-2-one
SMILESCC(CN)CCc1ccc(-n2ccccc2=O)cn1.CCC(C)CCc1ccc(-n2ccccc2=O)cn1.CSc1cnc(CCC(C)CCc2ccc(-n3ccccc3=O)cn2)nc1.Nc1ccc(-n2ccccc2=O)cn1.Nc1ccc(I)cn1
InChIInChI=1S/C21H24N4OS.C16H20N2O.C15H19N3O.C10H9N3O.C5H5IN2/c1-16(7-11-20-23-14-19(27-2)15-24-20)6-8-17-9-10-18(13-22-17)25-12-4-3-5-21(25)26;1-3-13(2)7-8-14-9-10-15(12-17-14)18-11-5-4-6-16(18)19;1-12(10-16)5-6-13-7-8-14(11-17-13)18-9-3-2-4-15(18)19;11-9-5-4-8(7-12-9)13-6-2-1-3-10(13)14;6-4-1-2-5(7)8-3-4/h3-5,9-10,12-16H,6-8,11H2,1-2H3;4-6,9-13H,3,7-8H2,1-2H3;2-4,7-9,11-12H,5-6,10,16H2,1H3;1-7H,(H2,11,12);1-3H,(H2,7,8)
InChIKeyUNIPSGQIQOPPIB-UHFFFAOYSA-N
MW1301.42 g/mol
LogP11.00
Rot. Bonds19

About 1-[6-(4-amino-3-methylbutyl)-3-pyridinyl]pyridin-2-one;1-(6-amino-3-pyridinyl)pyridin-2-one;5-iodopyridin-2-amine;1-[6-[3-methyl-5-(5-methylsulfanylpyrimidin-2-yl)pentyl]-3-pyridinyl]pyridin-2-one;1-[6-(3-methylpentyl)-3-pyridinyl]pyridin-2-one

1-[6-(4-amino-3-methylbutyl)-3-pyridinyl]pyridin-2-one;1-(6-amino-3-pyridinyl)pyridin-2-one;5-iodopyridin-2-amine;1-[6-[3-methyl-5-(5-methylsulfanylpyrimidin-2-yl)pentyl]-3-pyridinyl]pyridin-2-one;1-[6-(3-methylpentyl)-3-pyridinyl]pyridin-2-one (PubChem CID 161140233) has the molecular formula C67H77IN14O4S and a molecular weight of 1301.42 g/mol. Its IUPAC name is 1-[6-(4-amino-3-methylbutyl)-3-pyridinyl]pyridin-2-one;1-(6-amino-3-pyridinyl)pyridin-2-one;5-iodopyridin-2-amine;1-[6-[3-methyl-5-(5-methylsulfanylpyrimidin-2-yl)pentyl]-3-pyridinyl]pyridin-2-one;1-[6-(3-methylpentyl)-3-pyridinyl]pyridin-2-one.

Molecular Properties

Compound Name1-[6-(4-amino-3-methylbutyl)-3-pyridinyl]pyridin-2-one;1-(6-amino-3-pyridinyl)pyridin-2-one;5-iodopyridin-2-amine;1-[6-[3-methyl-5-(5-methylsulfanylpyrimidin-2-yl)pentyl]-3-pyridinyl]pyridin-2-one;1-[6-(3-methylpentyl)-3-pyridinyl]pyridin-2-one
PubChem CID161140233
Molecular FormulaC67H77IN14O4S
Molecular Weight1301.42 g/mol
Exact Mass1300.50
IUPAC Name1-[6-(4-amino-3-methylbutyl)-3-pyridinyl]pyridin-2-one;1-(6-amino-3-pyridinyl)pyridin-2-one;5-iodopyridin-2-amine;1-[6-[3-methyl-5-(5-methylsulfanylpyrimidin-2-yl)pentyl]-3-pyridinyl]pyridin-2-one;1-[6-(3-methylpentyl)-3-pyridinyl]pyridin-2-one
SMILESCC(CN)CCc1ccc(-n2ccccc2=O)cn1.CCC(C)CCc1ccc(-n2ccccc2=O)cn1.CSc1cnc(CCC(C)CCc2ccc(-n3ccccc3=O)cn2)nc1.Nc1ccc(-n2ccccc2=O)cn1.Nc1ccc(I)cn1
InChIInChI=1S/C21H24N4OS.C16H20N2O.C15H19N3O.C10H9N3O.C5H5IN2/c1-16(7-11-20-23-14-19(27-2)15-24-20)6-8-17-9-10-18(13-22-17)25-12-4-3-5-21(25)26;1-3-13(2)7-8-14-9-10-15(12-17-14)18-11-5-4-6-16(18)19;1-12(10-16)5-6-13-7-8-14(11-17-13)18-9-3-2-4-15(18)19;11-9-5-4-8(7-12-9)13-6-2-1-3-10(13)14;6-4-1-2-5(7)8-3-4/h3-5,9-10,12-16H,6-8,11H2,1-2H3;4-6,9-13H,3,7-8H2,1-2H3;2-4,7-9,11-12H,5-6,10,16H2,1H3;1-7H,(H2,11,12);1-3H,(H2,7,8)
InChIKeyUNIPSGQIQOPPIB-UHFFFAOYSA-N
XLogP11.00
TPSA256.29 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds19
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001301.42
LogP ≤ 511.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 1-[6-(4-amino-3-methylbutyl)-3-pyridinyl]pyridin-2-one;1-(6-amino-3-pyridinyl)pyridin-2-one;5-iodopyridin-2-amine;1-[6-[3-methyl-5-(5-methylsulfanylpyrimidin-2-yl)pentyl]-3-pyridinyl]pyridin-2-one;1-[6-(3-methylpentyl)-3-pyridinyl]pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-amino-3-methylbutyl)-3-pyridinyl]pyridin-2-one;1-(6-amino-3-pyridinyl)pyridin-2-one;5-iodopyridin-2-amine;1-[6-[3-methyl-5-(5-methylsulfanylpyrimidin-2-yl)pentyl]-3-pyridinyl]pyridin-2-one;1-[6-(3-methylpentyl)-3-pyridinyl]pyridin-2-one?
The IUPAC name of 1-[6-(4-amino-3-methylbutyl)-3-pyridinyl]pyridin-2-one;1-(6-amino-3-pyridinyl)pyridin-2-one;5-iodopyridin-2-amine;1-[6-[3-methyl-5-(5-methylsulfanylpyrimidin-2-yl)pentyl]-3-pyridinyl]pyridin-2-one;1-[6-(3-methylpentyl)-3-pyridinyl]pyridin-2-one (CID 161140233) is 1-[6-(4-amino-3-methylbutyl)-3-pyridinyl]pyridin-2-one;1-(6-amino-3-pyridinyl)pyridin-2-one;5-iodopyridin-2-amine;1-[6-[3-methyl-5-(5-methylsulfanylpyrimidin-2-yl)pentyl]-3-pyridinyl]pyridin-2-one;1-[6-(3-methylpentyl)-3-pyridinyl]pyridin-2-one.
What is the SMILES notation for 1-[6-(4-amino-3-methylbutyl)-3-pyridinyl]pyridin-2-one;1-(6-amino-3-pyridinyl)pyridin-2-one;5-iodopyridin-2-amine;1-[6-[3-methyl-5-(5-methylsulfanylpyrimidin-2-yl)pentyl]-3-pyridinyl]pyridin-2-one;1-[6-(3-methylpentyl)-3-pyridinyl]pyridin-2-one?
The canonical SMILES for 1-[6-(4-amino-3-methylbutyl)-3-pyridinyl]pyridin-2-one;1-(6-amino-3-pyridinyl)pyridin-2-one;5-iodopyridin-2-amine;1-[6-[3-methyl-5-(5-methylsulfanylpyrimidin-2-yl)pentyl]-3-pyridinyl]pyridin-2-one;1-[6-(3-methylpentyl)-3-pyridinyl]pyridin-2-one is CC(CN)CCc1ccc(-n2ccccc2=O)cn1.CCC(C)CCc1ccc(-n2ccccc2=O)cn1.CSc1cnc(CCC(C)CCc2ccc(-n3ccccc3=O)cn2)nc1.Nc1ccc(-n2ccccc2=O)cn1.Nc1ccc(I)cn1.
What is the InChIKey of 1-[6-(4-amino-3-methylbutyl)-3-pyridinyl]pyridin-2-one;1-(6-amino-3-pyridinyl)pyridin-2-one;5-iodopyridin-2-amine;1-[6-[3-methyl-5-(5-methylsulfanylpyrimidin-2-yl)pentyl]-3-pyridinyl]pyridin-2-one;1-[6-(3-methylpentyl)-3-pyridinyl]pyridin-2-one?
The InChIKey is UNIPSGQIQOPPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4OS.C16H20N2O.C15H19N3O.C10H9N3O.C5H5IN2/c1-16(7-11-20-23-14-19(27-2)15-24-20)6-8-17-9-10-18(13-22-17)25-12-4-3-5-21(25)26;1-3-13(2)7-8-14-9-10-15(12-17-14)18-11-5-4-6-16(18)19;1-12(10-16)5-6-13-7-8-14(11-17-13)18-9-3-2-4-15(18)19;11-9-5-4-8(7-12-9)13-6-2-1-3-10(13)14;6-4-1-2-5(7)8-3-4/h3-5,9-10,12-16H,6-8,11H2,1-2H3;4-6,9-13H,3,7-8H2,1-2H3;2-4,7-9,11-12H,5-6,10,16H2,1H3;1-7H,(H2,11,12);1-3H,(H2,7,8).
What are the key properties of 1-[6-(4-amino-3-methylbutyl)-3-pyridinyl]pyridin-2-one;1-(6-amino-3-pyridinyl)pyridin-2-one;5-iodopyridin-2-amine;1-[6-[3-methyl-5-(5-methylsulfanylpyrimidin-2-yl)pentyl]-3-pyridinyl]pyridin-2-one;1-[6-(3-methylpentyl)-3-pyridinyl]pyridin-2-one?
1-[6-(4-amino-3-methylbutyl)-3-pyridinyl]pyridin-2-one;1-(6-amino-3-pyridinyl)pyridin-2-one;5-iodopyridin-2-amine;1-[6-[3-methyl-5-(5-methylsulfanylpyrimidin-2-yl)pentyl]-3-pyridinyl]pyridin-2-one;1-[6-(3-methylpentyl)-3-pyridinyl]pyridin-2-one has a molecular weight of 1301.42 g/mol, XLogP of 11.00, 19 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-amino-3-methylbutyl)-3-pyridinyl]pyridin-2-one;1-(6-amino-3-pyridinyl)pyridin-2-one;5-iodopyridin-2-amine;1-[6-[3-methyl-5-(5-methylsulfanylpyrimidin-2-yl)pentyl]-3-pyridinyl]pyridin-2-one;1-[6-(3-methylpentyl)-3-pyridinyl]pyridin-2-one is sourced from PubChem (CID 161140233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).