3-butoxy-N-[7-[[3-butoxy-1-(2-methoxyethyl)-4-oxopyridine-2-carbonyl]amino]-4-[[[3-butoxy-1-(2-methoxyethyl)-4-oxopyridine-2-carbonyl]amino]methyl]-6-methylheptyl]-1-(2-methoxyethyl)-4-oxopyridine-2-carboxamide

C48H74N6O12 — CID 88560108

IUPAC3-butoxy-N-[7-[[3-butoxy-1-(2-methoxyethyl)-4-oxopyridine-2-carbonyl]amino]-4-[[[3-butoxy-1-(2-methoxyethyl)-4-oxopyridine-2-carbonyl]amino]methyl]-6-methylheptyl]-1-(2-methoxyethyl)-4-oxopyridine-2-carboxamide
SMILESCCCCOc1c(C(=O)NCCCC(CNC(=O)c2c(OCCCC)c(=O)ccn2CCOC)CC(C)CNC(=O)c2c(OCCCC)c(=O)ccn2CCOC)n(CCOC)ccc1=O
InChIInChI=1S/C48H74N6O12/c1-8-11-26-64-43-37(55)16-20-52(23-29-61-5)40(43)46(58)49-19-14-15-36(34-51-48(60)42-45(66-28-13-10-3)39(57)18-22-54(42)25-31-63-7)32-35(4)33-50-47(59)41-44(65-27-12-9-2)38(56)17-21-53(41)24-30-62-6/h16-18,20-22,35-36H,8-15,19,23-34H2,1-7H3,(H,49,58)(H,50,59)(H,51,60)
InChIKeyLRABYQNZENSXAG-UHFFFAOYSA-N
MW927.15 g/mol
LogP4.66
Rot. Bonds34

About 3-butoxy-N-[7-[[3-butoxy-1-(2-methoxyethyl)-4-oxopyridine-2-carbonyl]amino]-4-[[[3-butoxy-1-(2-methoxyethyl)-4-oxopyridine-2-carbonyl]amino]methyl]-6-methylheptyl]-1-(2-methoxyethyl)-4-oxopyridine-2-carboxamide

3-butoxy-N-[7-[[3-butoxy-1-(2-methoxyethyl)-4-oxopyridine-2-carbonyl]amino]-4-[[[3-butoxy-1-(2-methoxyethyl)-4-oxopyridine-2-carbonyl]amino]methyl]-6-methylheptyl]-1-(2-methoxyethyl)-4-oxopyridine-2-carboxamide (PubChem CID 88560108) has the molecular formula C48H74N6O12 and a molecular weight of 927.15 g/mol. Its IUPAC name is 3-butoxy-N-[7-[[3-butoxy-1-(2-methoxyethyl)-4-oxopyridine-2-carbonyl]amino]-4-[[[3-butoxy-1-(2-methoxyethyl)-4-oxopyridine-2-carbonyl]amino]methyl]-6-methylheptyl]-1-(2-methoxyethyl)-4-oxopyridine-2-carboxamide.

Molecular Properties

Compound Name3-butoxy-N-[7-[[3-butoxy-1-(2-methoxyethyl)-4-oxopyridine-2-carbonyl]amino]-4-[[[3-butoxy-1-(2-methoxyethyl)-4-oxopyridine-2-carbonyl]amino]methyl]-6-methylheptyl]-1-(2-methoxyethyl)-4-oxopyridine-2-carboxamide
PubChem CID88560108
Molecular FormulaC48H74N6O12
Molecular Weight927.15 g/mol
Exact Mass926.54
IUPAC Name3-butoxy-N-[7-[[3-butoxy-1-(2-methoxyethyl)-4-oxopyridine-2-carbonyl]amino]-4-[[[3-butoxy-1-(2-methoxyethyl)-4-oxopyridine-2-carbonyl]amino]methyl]-6-methylheptyl]-1-(2-methoxyethyl)-4-oxopyridine-2-carboxamide
SMILESCCCCOc1c(C(=O)NCCCC(CNC(=O)c2c(OCCCC)c(=O)ccn2CCOC)CC(C)CNC(=O)c2c(OCCCC)c(=O)ccn2CCOC)n(CCOC)ccc1=O
InChIInChI=1S/C48H74N6O12/c1-8-11-26-64-43-37(55)16-20-52(23-29-61-5)40(43)46(58)49-19-14-15-36(34-51-48(60)42-45(66-28-13-10-3)39(57)18-22-54(42)25-31-63-7)32-35(4)33-50-47(59)41-44(65-27-12-9-2)38(56)17-21-53(41)24-30-62-6/h16-18,20-22,35-36H,8-15,19,23-34H2,1-7H3,(H,49,58)(H,50,59)(H,51,60)
InChIKeyLRABYQNZENSXAG-UHFFFAOYSA-N
XLogP4.66
TPSA208.68 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds34
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500927.15
LogP ≤ 54.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 3-butoxy-N-[7-[[3-butoxy-1-(2-methoxyethyl)-4-oxopyridine-2-carbonyl]amino]-4-[[[3-butoxy-1-(2-methoxyethyl)-4-oxopyridine-2-carbonyl]amino]methyl]-6-methylheptyl]-1-(2-methoxyethyl)-4-oxopyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-butoxy-N-[7-[[3-butoxy-1-(2-methoxyethyl)-4-oxopyridine-2-carbonyl]amino]-4-[[[3-butoxy-1-(2-methoxyethyl)-4-oxopyridine-2-carbonyl]amino]methyl]-6-methylheptyl]-1-(2-methoxyethyl)-4-oxopyridine-2-carboxamide?
The IUPAC name of 3-butoxy-N-[7-[[3-butoxy-1-(2-methoxyethyl)-4-oxopyridine-2-carbonyl]amino]-4-[[[3-butoxy-1-(2-methoxyethyl)-4-oxopyridine-2-carbonyl]amino]methyl]-6-methylheptyl]-1-(2-methoxyethyl)-4-oxopyridine-2-carboxamide (CID 88560108) is 3-butoxy-N-[7-[[3-butoxy-1-(2-methoxyethyl)-4-oxopyridine-2-carbonyl]amino]-4-[[[3-butoxy-1-(2-methoxyethyl)-4-oxopyridine-2-carbonyl]amino]methyl]-6-methylheptyl]-1-(2-methoxyethyl)-4-oxopyridine-2-carboxamide.
What is the SMILES notation for 3-butoxy-N-[7-[[3-butoxy-1-(2-methoxyethyl)-4-oxopyridine-2-carbonyl]amino]-4-[[[3-butoxy-1-(2-methoxyethyl)-4-oxopyridine-2-carbonyl]amino]methyl]-6-methylheptyl]-1-(2-methoxyethyl)-4-oxopyridine-2-carboxamide?
The canonical SMILES for 3-butoxy-N-[7-[[3-butoxy-1-(2-methoxyethyl)-4-oxopyridine-2-carbonyl]amino]-4-[[[3-butoxy-1-(2-methoxyethyl)-4-oxopyridine-2-carbonyl]amino]methyl]-6-methylheptyl]-1-(2-methoxyethyl)-4-oxopyridine-2-carboxamide is CCCCOc1c(C(=O)NCCCC(CNC(=O)c2c(OCCCC)c(=O)ccn2CCOC)CC(C)CNC(=O)c2c(OCCCC)c(=O)ccn2CCOC)n(CCOC)ccc1=O.
What is the InChIKey of 3-butoxy-N-[7-[[3-butoxy-1-(2-methoxyethyl)-4-oxopyridine-2-carbonyl]amino]-4-[[[3-butoxy-1-(2-methoxyethyl)-4-oxopyridine-2-carbonyl]amino]methyl]-6-methylheptyl]-1-(2-methoxyethyl)-4-oxopyridine-2-carboxamide?
The InChIKey is LRABYQNZENSXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H74N6O12/c1-8-11-26-64-43-37(55)16-20-52(23-29-61-5)40(43)46(58)49-19-14-15-36(34-51-48(60)42-45(66-28-13-10-3)39(57)18-22-54(42)25-31-63-7)32-35(4)33-50-47(59)41-44(65-27-12-9-2)38(56)17-21-53(41)24-30-62-6/h16-18,20-22,35-36H,8-15,19,23-34H2,1-7H3,(H,49,58)(H,50,59)(H,51,60).
What are the key properties of 3-butoxy-N-[7-[[3-butoxy-1-(2-methoxyethyl)-4-oxopyridine-2-carbonyl]amino]-4-[[[3-butoxy-1-(2-methoxyethyl)-4-oxopyridine-2-carbonyl]amino]methyl]-6-methylheptyl]-1-(2-methoxyethyl)-4-oxopyridine-2-carboxamide?
3-butoxy-N-[7-[[3-butoxy-1-(2-methoxyethyl)-4-oxopyridine-2-carbonyl]amino]-4-[[[3-butoxy-1-(2-methoxyethyl)-4-oxopyridine-2-carbonyl]amino]methyl]-6-methylheptyl]-1-(2-methoxyethyl)-4-oxopyridine-2-carboxamide has a molecular weight of 927.15 g/mol, XLogP of 4.66, 34 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-N-[7-[[3-butoxy-1-(2-methoxyethyl)-4-oxopyridine-2-carbonyl]amino]-4-[[[3-butoxy-1-(2-methoxyethyl)-4-oxopyridine-2-carbonyl]amino]methyl]-6-methylheptyl]-1-(2-methoxyethyl)-4-oxopyridine-2-carboxamide is sourced from PubChem (CID 88560108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).