6-acetyl-N-[3-[[4-[3-[(6-acetyl-1-hydroxy-2-oxopyridine-3-carbonyl)amino]propyl-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]-5-[2-(2-aminoethoxy)ethylamino]-5-oxopentyl]-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propyl]-1-hydroxy-2-oxopyridine-3-carboxamide;ethane

C47H64N10O16 — CID 153342528

IUPAC6-acetyl-N-[3-[[4-[3-[(6-acetyl-1-hydroxy-2-oxopyridine-3-carbonyl)amino]propyl-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]-5-[2-(2-aminoethoxy)ethylamino]-5-oxopentyl]-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propyl]-1-hydroxy-2-oxopyridine-3-carboxamide;ethane
SMILESCC.CC.CC(=O)c1ccc(C(=O)NCCCN(CCCC(C(=O)NCCOCCN)N(CCCNC(=O)c2ccc(C(C)=O)n(O)c2=O)C(=O)c2cccc(=O)n2O)C(=O)c2cccc(=O)n2O)c(=O)n1O
InChIInChI=1S/C43H52N10O16.2C2H6/c1-26(54)30-15-13-28(40(61)52(30)67)37(58)45-18-6-22-48(42(63)33-8-3-11-35(56)50(33)65)21-5-10-32(39(60)47-20-25-69-24-17-44)49(43(64)34-9-4-12-36(57)51(34)66)23-7-19-46-38(59)29-14-16-31(27(2)55)53(68)41(29)62;2*1-2/h3-4,8-9,11-16,32,65-68H,5-7,10,17-25,44H2,1-2H3,(H,45,58)(H,46,59)(H,47,60);2*1-2H3
InChIKeyYVQMEDSQAAQYCO-UHFFFAOYSA-N
MW1025.08 g/mol
LogP0.21
Rot. Bonds25

About 6-acetyl-N-[3-[[4-[3-[(6-acetyl-1-hydroxy-2-oxopyridine-3-carbonyl)amino]propyl-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]-5-[2-(2-aminoethoxy)ethylamino]-5-oxopentyl]-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propyl]-1-hydroxy-2-oxopyridine-3-carboxamide;ethane

6-acetyl-N-[3-[[4-[3-[(6-acetyl-1-hydroxy-2-oxopyridine-3-carbonyl)amino]propyl-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]-5-[2-(2-aminoethoxy)ethylamino]-5-oxopentyl]-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propyl]-1-hydroxy-2-oxopyridine-3-carboxamide;ethane (PubChem CID 153342528) has the molecular formula C47H64N10O16 and a molecular weight of 1025.08 g/mol. Its IUPAC name is 6-acetyl-N-[3-[[4-[3-[(6-acetyl-1-hydroxy-2-oxopyridine-3-carbonyl)amino]propyl-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]-5-[2-(2-aminoethoxy)ethylamino]-5-oxopentyl]-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propyl]-1-hydroxy-2-oxopyridine-3-carboxamide;ethane.

Molecular Properties

Compound Name6-acetyl-N-[3-[[4-[3-[(6-acetyl-1-hydroxy-2-oxopyridine-3-carbonyl)amino]propyl-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]-5-[2-(2-aminoethoxy)ethylamino]-5-oxopentyl]-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propyl]-1-hydroxy-2-oxopyridine-3-carboxamide;ethane
PubChem CID153342528
Molecular FormulaC47H64N10O16
Molecular Weight1025.08 g/mol
Exact Mass1024.45
IUPAC Name6-acetyl-N-[3-[[4-[3-[(6-acetyl-1-hydroxy-2-oxopyridine-3-carbonyl)amino]propyl-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]-5-[2-(2-aminoethoxy)ethylamino]-5-oxopentyl]-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propyl]-1-hydroxy-2-oxopyridine-3-carboxamide;ethane
SMILESCC.CC.CC(=O)c1ccc(C(=O)NCCCN(CCCC(C(=O)NCCOCCN)N(CCCNC(=O)c2ccc(C(C)=O)n(O)c2=O)C(=O)c2cccc(=O)n2O)C(=O)c2cccc(=O)n2O)c(=O)n1O
InChIInChI=1S/C43H52N10O16.2C2H6/c1-26(54)30-15-13-28(40(61)52(30)67)37(58)45-18-6-22-48(42(63)33-8-3-11-35(56)50(33)65)21-5-10-32(39(60)47-20-25-69-24-17-44)49(43(64)34-9-4-12-36(57)51(34)66)23-7-19-46-38(59)29-14-16-31(27(2)55)53(68)41(29)62;2*1-2/h3-4,8-9,11-16,32,65-68H,5-7,10,17-25,44H2,1-2H3,(H,45,58)(H,46,59)(H,47,60);2*1-2H3
InChIKeyYVQMEDSQAAQYCO-UHFFFAOYSA-N
XLogP0.21
TPSA366.23 Ų
H-Bond Donors8
H-Bond Acceptors21
Rotatable Bonds25
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001025.08
LogP ≤ 50.21
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze 6-acetyl-N-[3-[[4-[3-[(6-acetyl-1-hydroxy-2-oxopyridine-3-carbonyl)amino]propyl-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]-5-[2-(2-aminoethoxy)ethylamino]-5-oxopentyl]-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propyl]-1-hydroxy-2-oxopyridine-3-carboxamide;ethane with MolForge

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Related Compounds

18-(5-Aminopentyl)-13,32,44,60-tetrahydroxy-4,23-dioxa-1,7,10,13,17,20,26,29,32,36,41,44,48,57,60,64-hexadecazaheptacyclo[24.12.12.127,20.212,15.231,34.243,46.259,62]heptaconta-12(68),15(67),31(54),34(53),43(52),46(51),59(70),62(69)-octaene-11,14,16,30,33,35,42,45,47,58,61,63-dodecone
CID 88864810
tert-butyl N-[2-[2-[2,5-bis[(1-butoxy-6-oxopyridine-2-carbonyl)-[3-[(1-butoxy-6-oxopyridine-2-carbonyl)amino]propyl]amino]pentanoylamino]ethoxy]ethyl]carbamate
CID 121449704
4-(4-Aminobutyl)-6-[2-[12,26-dihydroxy-2,10,13,15,23,25-hexaoxo-19-[2-(2-propoxyethoxy)ethyl]-3,6,9,12,16,19,22,26-octazatricyclo[22.2.2.211,14]triaconta-1(27),11(30),14(29),24(28)-tetraen-6-yl]ethyl]-12,26-dihydroxy-19-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,6,9,12,16,19,22,26-octazatricyclo[22.2.2.211,14]triaconta-1(27),11(30),14(29),24(28)-tetraene-2,10,13,15,23,25-hexone
CID 122450561
13,32,44-Trihydroxy-60-methyl-4,23-dioxa-1,7,10,13,17,20,26,29,32,36,41,44,48,57,60,64-hexadecazaheptacyclo[24.12.12.127,20.212,15.231,34.243,46.259,62]heptaconta-12(68),15(67),31(54),34(53),43(52),46(51),59(70),62(69)-octaene-11,14,16,30,33,35,42,45,47,58,61,63-dodecone
CID 122660781
3-hydroxy-N-[3-[[3-hydroxy-1-[2-(2-methoxyethylamino)-2-oxoethyl]-6-methyl-2-oxopyridine-4-carbonyl]-[4-[[3-hydroxy-1-[2-(2-methoxyethylamino)-2-oxoethyl]-6-methyl-2-oxopyridine-4-carbonyl]-[3-[[3-hydroxy-1-[2-(2-methoxyethylamino)-2-oxoethyl]-6-methyl-2-oxopyridine-4-carbonyl]amino]-4-oxopentyl]amino]butyl]amino]propyl]-1-[2-(2-methoxyethylamino)-2-oxoethyl]-6-methyl-2-oxopyridine-4-carboxamide
CID 132241744
3-hydroxy-N-[3-[[3-hydroxy-1-[2-(2-methoxyethylamino)-2-oxoethyl]-6-methyl-2-oxopyridine-4-carbonyl]-[4-[[3-hydroxy-1-[2-(2-methoxyethylamino)-2-oxoethyl]-6-methyl-2-oxopyridine-4-carbonyl]-[3-[[3-hydroxy-1-[2-(2-methoxyethylamino)-2-oxoethyl]-6-methyl-2-oxopyridine-4-carbonyl]amino]propyl]amino]-5-oxohexyl]amino]propyl]-1-[2-(2-methoxyethylamino)-2-oxoethyl]-6-methyl-2-oxopyridine-4-carboxamide
CID 132241745
1-hydroxy-2-N-[3-[[1-hydroxy-5-(2-methoxyethylcarbamoyl)-6-oxopyridine-2-carbonyl]-[4-[[1-hydroxy-5-(2-methoxyethylcarbamoyl)-6-oxopyridine-2-carbonyl]-[3-[[1-hydroxy-5-(2-methoxyethylcarbamoyl)-6-oxopyridine-2-carbonyl]amino]-4-oxopentyl]amino]butyl]amino]propyl]-5-N-(2-methoxyethyl)-6-oxopyridine-2,5-dicarboxamide
CID 132241747
1-hydroxy-6-[[3-[[1-hydroxy-5-(2-methoxyethylcarbamoyl)-6-oxo-2-pyridinyl]methyl-[4-[[1-hydroxy-5-(2-methoxyethylcarbamoyl)-6-oxo-2-pyridinyl]methyl-[3-[[1-hydroxy-5-(2-methoxyethylcarbamoyl)-6-oxo-2-pyridinyl]methylamino]-4-oxohexyl]amino]butyl]amino]propylamino]methyl]-N-(2-methoxyethyl)-2-oxopyridine-3-carboxamide
CID 132241751
1-hydroxy-6-[[3-[[1-hydroxy-5-(2-methoxyethylcarbamoyl)-6-oxo-2-pyridinyl]methyl-[4-[[1-hydroxy-5-(2-methoxyethylcarbamoyl)-6-oxo-2-pyridinyl]methyl-[3-[[1-hydroxy-5-(2-methoxyethylcarbamoyl)-6-oxo-2-pyridinyl]methylamino]propyl]amino]-5-oxoheptyl]amino]propylamino]methyl]-N-(2-methoxyethyl)-2-oxopyridine-3-carboxamide
CID 132241753
1-hydroxy-2-N-[3-[[1-hydroxy-5-(2-methoxyethylcarbamoyl)-6-oxopyridine-2-carbonyl]-[4-[[1-hydroxy-5-(2-methoxyethylcarbamoyl)-6-oxopyridine-2-carbonyl]-[3-[[1-hydroxy-5-(2-methoxyethylcarbamoyl)-6-oxopyridine-2-carbonyl]amino]propyl]amino]-5-oxohexyl]amino]propyl]-5-N-(2-methoxyethyl)-6-oxopyridine-2,5-dicarboxamide
CID 132241754
1-hydroxy-2-N-[3-[[4-[3-[[1-hydroxy-5-[1-(2-methoxyethylamino)ethenyl]-6-oxopyridine-2-carbonyl]amino]propyl-[1-hydroxy-5-(2-methoxyethylcarbamoyl)-6-oxopyridine-2-carbonyl]amino]-5-oxohexyl]-[1-hydroxy-5-(2-methoxyethylcarbamoyl)-6-oxopyridine-2-carbonyl]amino]propyl]-5-N-(2-methoxyethyl)-6-oxopyridine-2,5-dicarboxamide
CID 132241762
1-hydroxy-2-N-[3-[4-[[3-[[1-hydroxy-5-[1-(2-methoxyethylamino)ethenyl]-6-oxopyridine-2-carbonyl]amino]-4-oxopentyl]-[1-hydroxy-5-(2-methoxyethylcarbamoyl)-6-oxopyridine-2-carbonyl]amino]butyl-[1-hydroxy-5-(2-methoxyethylcarbamoyl)-6-oxopyridine-2-carbonyl]amino]propyl]-5-N-(2-methoxyethyl)-6-oxopyridine-2,5-dicarboxamide
CID 132241765

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-N-[3-[[4-[3-[(6-acetyl-1-hydroxy-2-oxopyridine-3-carbonyl)amino]propyl-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]-5-[2-(2-aminoethoxy)ethylamino]-5-oxopentyl]-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propyl]-1-hydroxy-2-oxopyridine-3-carboxamide;ethane?
The IUPAC name of 6-acetyl-N-[3-[[4-[3-[(6-acetyl-1-hydroxy-2-oxopyridine-3-carbonyl)amino]propyl-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]-5-[2-(2-aminoethoxy)ethylamino]-5-oxopentyl]-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propyl]-1-hydroxy-2-oxopyridine-3-carboxamide;ethane (CID 153342528) is 6-acetyl-N-[3-[[4-[3-[(6-acetyl-1-hydroxy-2-oxopyridine-3-carbonyl)amino]propyl-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]-5-[2-(2-aminoethoxy)ethylamino]-5-oxopentyl]-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propyl]-1-hydroxy-2-oxopyridine-3-carboxamide;ethane.
What is the SMILES notation for 6-acetyl-N-[3-[[4-[3-[(6-acetyl-1-hydroxy-2-oxopyridine-3-carbonyl)amino]propyl-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]-5-[2-(2-aminoethoxy)ethylamino]-5-oxopentyl]-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propyl]-1-hydroxy-2-oxopyridine-3-carboxamide;ethane?
The canonical SMILES for 6-acetyl-N-[3-[[4-[3-[(6-acetyl-1-hydroxy-2-oxopyridine-3-carbonyl)amino]propyl-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]-5-[2-(2-aminoethoxy)ethylamino]-5-oxopentyl]-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propyl]-1-hydroxy-2-oxopyridine-3-carboxamide;ethane is CC.CC.CC(=O)c1ccc(C(=O)NCCCN(CCCC(C(=O)NCCOCCN)N(CCCNC(=O)c2ccc(C(C)=O)n(O)c2=O)C(=O)c2cccc(=O)n2O)C(=O)c2cccc(=O)n2O)c(=O)n1O.
What is the InChIKey of 6-acetyl-N-[3-[[4-[3-[(6-acetyl-1-hydroxy-2-oxopyridine-3-carbonyl)amino]propyl-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]-5-[2-(2-aminoethoxy)ethylamino]-5-oxopentyl]-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propyl]-1-hydroxy-2-oxopyridine-3-carboxamide;ethane?
The InChIKey is YVQMEDSQAAQYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H52N10O16.2C2H6/c1-26(54)30-15-13-28(40(61)52(30)67)37(58)45-18-6-22-48(42(63)33-8-3-11-35(56)50(33)65)21-5-10-32(39(60)47-20-25-69-24-17-44)49(43(64)34-9-4-12-36(57)51(34)66)23-7-19-46-38(59)29-14-16-31(27(2)55)53(68)41(29)62;2*1-2/h3-4,8-9,11-16,32,65-68H,5-7,10,17-25,44H2,1-2H3,(H,45,58)(H,46,59)(H,47,60);2*1-2H3.
What are the key properties of 6-acetyl-N-[3-[[4-[3-[(6-acetyl-1-hydroxy-2-oxopyridine-3-carbonyl)amino]propyl-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]-5-[2-(2-aminoethoxy)ethylamino]-5-oxopentyl]-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propyl]-1-hydroxy-2-oxopyridine-3-carboxamide;ethane?
6-acetyl-N-[3-[[4-[3-[(6-acetyl-1-hydroxy-2-oxopyridine-3-carbonyl)amino]propyl-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]-5-[2-(2-aminoethoxy)ethylamino]-5-oxopentyl]-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propyl]-1-hydroxy-2-oxopyridine-3-carboxamide;ethane has a molecular weight of 1025.08 g/mol, XLogP of 0.21, 25 rotatable bonds, 8 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-N-[3-[[4-[3-[(6-acetyl-1-hydroxy-2-oxopyridine-3-carbonyl)amino]propyl-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]-5-[2-(2-aminoethoxy)ethylamino]-5-oxopentyl]-(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propyl]-1-hydroxy-2-oxopyridine-3-carboxamide;ethane is sourced from PubChem (CID 153342528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).