3-hydroxy-N-[2-[2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]ethyl-[2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]pentyl]amino]ethyl]-1-(2-methoxyethyl)-2-oxopyridine-4-carboxamide

C36H51N7O12 — CID 69383003

IUPAC3-hydroxy-N-[2-[2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]ethyl-[2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]pentyl]amino]ethyl]-1-(2-methoxyethyl)-2-oxopyridine-4-carboxamide
SMILESCCCC(CN(CCNC(=O)c1ccn(CCOC)c(=O)c1O)CCNC(=O)c1ccn(CCOC)c(=O)c1O)NC(=O)c1ccn(CCOC)c(=O)c1O
InChIInChI=1S/C36H51N7O12/c1-5-6-24(39-33(49)27-9-14-43(19-22-55-4)36(52)30(27)46)23-40(15-10-37-31(47)25-7-12-41(17-20-53-2)34(50)28(25)44)16-11-38-32(48)26-8-13-42(18-21-54-3)35(51)29(26)45/h7-9,12-14,24,44-46H,5-6,10-11,15-23H2,1-4H3,(H,37,47)(H,38,48)(H,39,49)
InChIKeyQCLDUHJZTSGFTF-UHFFFAOYSA-N
MW773.84 g/mol
LogP-0.71
Rot. Bonds23

About 3-hydroxy-N-[2-[2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]ethyl-[2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]pentyl]amino]ethyl]-1-(2-methoxyethyl)-2-oxopyridine-4-carboxamide

3-hydroxy-N-[2-[2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]ethyl-[2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]pentyl]amino]ethyl]-1-(2-methoxyethyl)-2-oxopyridine-4-carboxamide (PubChem CID 69383003) has the molecular formula C36H51N7O12 and a molecular weight of 773.84 g/mol. Its IUPAC name is 3-hydroxy-N-[2-[2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]ethyl-[2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]pentyl]amino]ethyl]-1-(2-methoxyethyl)-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[2-[2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]ethyl-[2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]pentyl]amino]ethyl]-1-(2-methoxyethyl)-2-oxopyridine-4-carboxamide
PubChem CID69383003
Molecular FormulaC36H51N7O12
Molecular Weight773.84 g/mol
Exact Mass773.36
IUPAC Name3-hydroxy-N-[2-[2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]ethyl-[2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]pentyl]amino]ethyl]-1-(2-methoxyethyl)-2-oxopyridine-4-carboxamide
SMILESCCCC(CN(CCNC(=O)c1ccn(CCOC)c(=O)c1O)CCNC(=O)c1ccn(CCOC)c(=O)c1O)NC(=O)c1ccn(CCOC)c(=O)c1O
InChIInChI=1S/C36H51N7O12/c1-5-6-24(39-33(49)27-9-14-43(19-22-55-4)36(52)30(27)46)23-40(15-10-37-31(47)25-7-12-41(17-20-53-2)34(50)28(25)44)16-11-38-32(48)26-8-13-42(18-21-54-3)35(51)29(26)45/h7-9,12-14,24,44-46H,5-6,10-11,15-23H2,1-4H3,(H,37,47)(H,38,48)(H,39,49)
InChIKeyQCLDUHJZTSGFTF-UHFFFAOYSA-N
XLogP-0.71
TPSA244.92 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds23
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500773.84
LogP ≤ 5-0.71
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Analyze 3-hydroxy-N-[2-[2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]ethyl-[2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]pentyl]amino]ethyl]-1-(2-methoxyethyl)-2-oxopyridine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[2-[2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]ethyl-[2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]pentyl]amino]ethyl]-1-(2-methoxyethyl)-2-oxopyridine-4-carboxamide?
The IUPAC name of 3-hydroxy-N-[2-[2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]ethyl-[2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]pentyl]amino]ethyl]-1-(2-methoxyethyl)-2-oxopyridine-4-carboxamide (CID 69383003) is 3-hydroxy-N-[2-[2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]ethyl-[2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]pentyl]amino]ethyl]-1-(2-methoxyethyl)-2-oxopyridine-4-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[2-[2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]ethyl-[2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]pentyl]amino]ethyl]-1-(2-methoxyethyl)-2-oxopyridine-4-carboxamide?
The canonical SMILES for 3-hydroxy-N-[2-[2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]ethyl-[2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]pentyl]amino]ethyl]-1-(2-methoxyethyl)-2-oxopyridine-4-carboxamide is CCCC(CN(CCNC(=O)c1ccn(CCOC)c(=O)c1O)CCNC(=O)c1ccn(CCOC)c(=O)c1O)NC(=O)c1ccn(CCOC)c(=O)c1O.
What is the InChIKey of 3-hydroxy-N-[2-[2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]ethyl-[2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]pentyl]amino]ethyl]-1-(2-methoxyethyl)-2-oxopyridine-4-carboxamide?
The InChIKey is QCLDUHJZTSGFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H51N7O12/c1-5-6-24(39-33(49)27-9-14-43(19-22-55-4)36(52)30(27)46)23-40(15-10-37-31(47)25-7-12-41(17-20-53-2)34(50)28(25)44)16-11-38-32(48)26-8-13-42(18-21-54-3)35(51)29(26)45/h7-9,12-14,24,44-46H,5-6,10-11,15-23H2,1-4H3,(H,37,47)(H,38,48)(H,39,49).
What are the key properties of 3-hydroxy-N-[2-[2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]ethyl-[2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]pentyl]amino]ethyl]-1-(2-methoxyethyl)-2-oxopyridine-4-carboxamide?
3-hydroxy-N-[2-[2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]ethyl-[2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]pentyl]amino]ethyl]-1-(2-methoxyethyl)-2-oxopyridine-4-carboxamide has a molecular weight of 773.84 g/mol, XLogP of -0.71, 23 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[2-[2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]ethyl-[2-[[3-hydroxy-1-(2-methoxyethyl)-2-oxopyridine-4-carbonyl]amino]pentyl]amino]ethyl]-1-(2-methoxyethyl)-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 69383003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).