3-hydroxy-N-[2-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl-[2-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]-6-(methylamino)hexyl]amino]ethyl]amino]ethyl]-1-methyl-2-oxopyridine-4-carboxamide

C43H59N11O12 — CID 88909849

IUPAC3-hydroxy-N-[2-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl-[2-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]-6-(methylamino)hexyl]amino]ethyl]amino]ethyl]-1-methyl-2-oxopyridine-4-carboxamide
SMILESCNCCCCC(CN(CCNC(=O)c1ccn(C)c(=O)c1O)CCN(CCNC(=O)c1ccn(C)c(=O)c1O)CCNC(=O)c1ccn(C)c(=O)c1O)NC(=O)c1ccn(C)c(=O)c1O
InChIInChI=1S/C43H59N11O12/c1-44-13-7-6-8-27(48-39(62)31-12-20-52(5)43(66)35(31)58)26-54(23-16-47-38(61)30-11-19-51(4)42(65)34(30)57)25-24-53(21-14-45-36(59)28-9-17-49(2)40(63)32(28)55)22-15-46-37(60)29-10-18-50(3)41(64)33(29)56/h9-12,17-20,27,44,55-58H,6-8,13-16,21-26H2,1-5H3,(H,45,59)(H,46,60)(H,47,61)(H,48,62)
InChIKeyHKRBMUCEOWXYAK-UHFFFAOYSA-N
MW922.01 g/mol
LogP-2.31
Rot. Bonds24

About 3-hydroxy-N-[2-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl-[2-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]-6-(methylamino)hexyl]amino]ethyl]amino]ethyl]-1-methyl-2-oxopyridine-4-carboxamide

3-hydroxy-N-[2-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl-[2-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]-6-(methylamino)hexyl]amino]ethyl]amino]ethyl]-1-methyl-2-oxopyridine-4-carboxamide (PubChem CID 88909849) has the molecular formula C43H59N11O12 and a molecular weight of 922.01 g/mol. Its IUPAC name is 3-hydroxy-N-[2-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl-[2-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]-6-(methylamino)hexyl]amino]ethyl]amino]ethyl]-1-methyl-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[2-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl-[2-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]-6-(methylamino)hexyl]amino]ethyl]amino]ethyl]-1-methyl-2-oxopyridine-4-carboxamide
PubChem CID88909849
Molecular FormulaC43H59N11O12
Molecular Weight922.01 g/mol
Exact Mass921.43
IUPAC Name3-hydroxy-N-[2-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl-[2-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]-6-(methylamino)hexyl]amino]ethyl]amino]ethyl]-1-methyl-2-oxopyridine-4-carboxamide
SMILESCNCCCCC(CN(CCNC(=O)c1ccn(C)c(=O)c1O)CCN(CCNC(=O)c1ccn(C)c(=O)c1O)CCNC(=O)c1ccn(C)c(=O)c1O)NC(=O)c1ccn(C)c(=O)c1O
InChIInChI=1S/C43H59N11O12/c1-44-13-7-6-8-27(48-39(62)31-12-20-52(5)43(66)35(31)58)26-54(23-16-47-38(61)30-11-19-51(4)42(65)34(30)57)25-24-53(21-14-45-36(59)28-9-17-49(2)40(63)32(28)55)22-15-46-37(60)29-10-18-50(3)41(64)33(29)56/h9-12,17-20,27,44,55-58H,6-8,13-16,21-26H2,1-5H3,(H,45,59)(H,46,60)(H,47,61)(H,48,62)
InChIKeyHKRBMUCEOWXYAK-UHFFFAOYSA-N
XLogP-2.31
TPSA303.83 Ų
H-Bond Donors9
H-Bond Acceptors19
Rotatable Bonds24
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500922.01
LogP ≤ 5-2.31
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 3-hydroxy-N-[2-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl-[2-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]-6-(methylamino)hexyl]amino]ethyl]amino]ethyl]-1-methyl-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-methyl-2-oxopyridine-4-carbonyl)amino]ethyl-[2-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]-6-(methylamino)hexyl]amino]ethyl]amino]ethyl]-1-methyl-2-oxopyridine-4-carboxamide?
The IUPAC name of 3-hydroxy-N-[2-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl-[2-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]-6-(methylamino)hexyl]amino]ethyl]amino]ethyl]-1-methyl-2-oxopyridine-4-carboxamide (CID 88909849) is 3-hydroxy-N-[2-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl-[2-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]-6-(methylamino)hexyl]amino]ethyl]amino]ethyl]-1-methyl-2-oxopyridine-4-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[2-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl-[2-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]-6-(methylamino)hexyl]amino]ethyl]amino]ethyl]-1-methyl-2-oxopyridine-4-carboxamide?
The canonical SMILES for 3-hydroxy-N-[2-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl-[2-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]-6-(methylamino)hexyl]amino]ethyl]amino]ethyl]-1-methyl-2-oxopyridine-4-carboxamide is CNCCCCC(CN(CCNC(=O)c1ccn(C)c(=O)c1O)CCN(CCNC(=O)c1ccn(C)c(=O)c1O)CCNC(=O)c1ccn(C)c(=O)c1O)NC(=O)c1ccn(C)c(=O)c1O.
What is the InChIKey of 3-hydroxy-N-[2-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl-[2-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]-6-(methylamino)hexyl]amino]ethyl]amino]ethyl]-1-methyl-2-oxopyridine-4-carboxamide?
The InChIKey is HKRBMUCEOWXYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H59N11O12/c1-44-13-7-6-8-27(48-39(62)31-12-20-52(5)43(66)35(31)58)26-54(23-16-47-38(61)30-11-19-51(4)42(65)34(30)57)25-24-53(21-14-45-36(59)28-9-17-49(2)40(63)32(28)55)22-15-46-37(60)29-10-18-50(3)41(64)33(29)56/h9-12,17-20,27,44,55-58H,6-8,13-16,21-26H2,1-5H3,(H,45,59)(H,46,60)(H,47,61)(H,48,62).
What are the key properties of 3-hydroxy-N-[2-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl-[2-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]-6-(methylamino)hexyl]amino]ethyl]amino]ethyl]-1-methyl-2-oxopyridine-4-carboxamide?
3-hydroxy-N-[2-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl-[2-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]-6-(methylamino)hexyl]amino]ethyl]amino]ethyl]-1-methyl-2-oxopyridine-4-carboxamide has a molecular weight of 922.01 g/mol, XLogP of -2.31, 24 rotatable bonds, 9 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[2-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl-[2-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]-6-(methylamino)hexyl]amino]ethyl]amino]ethyl]-1-methyl-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 88909849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).