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

C31H42N8O9 — CID 69382008

IUPACN-[2-[[6-amino-2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]hexyl]-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl]amino]ethyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide
SMILESCn1ccc(C(=O)NCCN(CCNC(=O)c2ccn(C)c(=O)c2O)CC(CCCCN)NC(=O)c2ccn(C)c(=O)c2O)c(O)c1=O
InChIInChI=1S/C31H42N8O9/c1-36-13-7-20(23(40)29(36)46)26(43)33-11-16-39(17-12-34-27(44)21-8-14-37(2)30(47)24(21)41)18-19(6-4-5-10-32)35-28(45)22-9-15-38(3)31(48)25(22)42/h7-9,13-15,19,40-42H,4-6,10-12,16-18,32H2,1-3H3,(H,33,43)(H,34,44)(H,35,45)
InChIKeyVEUBRCCDELTWFS-UHFFFAOYSA-N
MW670.72 g/mol
LogP-1.71
Rot. Bonds16

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

N-[2-[[6-amino-2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]hexyl]-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl]amino]ethyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide (PubChem CID 69382008) has the molecular formula C31H42N8O9 and a molecular weight of 670.72 g/mol. Its IUPAC name is N-[2-[[6-amino-2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]hexyl]-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl]amino]ethyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[[6-amino-2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]hexyl]-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl]amino]ethyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide
PubChem CID69382008
Molecular FormulaC31H42N8O9
Molecular Weight670.72 g/mol
Exact Mass670.31
IUPAC NameN-[2-[[6-amino-2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]hexyl]-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl]amino]ethyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide
SMILESCn1ccc(C(=O)NCCN(CCNC(=O)c2ccn(C)c(=O)c2O)CC(CCCCN)NC(=O)c2ccn(C)c(=O)c2O)c(O)c1=O
InChIInChI=1S/C31H42N8O9/c1-36-13-7-20(23(40)29(36)46)26(43)33-11-16-39(17-12-34-27(44)21-8-14-37(2)30(47)24(21)41)18-19(6-4-5-10-32)35-28(45)22-9-15-38(3)31(48)25(22)42/h7-9,13-15,19,40-42H,4-6,10-12,16-18,32H2,1-3H3,(H,33,43)(H,34,44)(H,35,45)
InChIKeyVEUBRCCDELTWFS-UHFFFAOYSA-N
XLogP-1.71
TPSA243.25 Ų
H-Bond Donors7
H-Bond Acceptors14
Rotatable Bonds16
Heavy Atoms48
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500670.72
LogP ≤ 5-1.71
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-amino-2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]hexyl]-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl]amino]ethyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide?
The IUPAC name of N-[2-[[6-amino-2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]hexyl]-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl]amino]ethyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide (CID 69382008) is N-[2-[[6-amino-2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]hexyl]-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl]amino]ethyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide.
What is the SMILES notation for N-[2-[[6-amino-2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]hexyl]-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl]amino]ethyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide?
The canonical SMILES for N-[2-[[6-amino-2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]hexyl]-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl]amino]ethyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide is Cn1ccc(C(=O)NCCN(CCNC(=O)c2ccn(C)c(=O)c2O)CC(CCCCN)NC(=O)c2ccn(C)c(=O)c2O)c(O)c1=O.
What is the InChIKey of N-[2-[[6-amino-2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]hexyl]-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl]amino]ethyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide?
The InChIKey is VEUBRCCDELTWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H42N8O9/c1-36-13-7-20(23(40)29(36)46)26(43)33-11-16-39(17-12-34-27(44)21-8-14-37(2)30(47)24(21)41)18-19(6-4-5-10-32)35-28(45)22-9-15-38(3)31(48)25(22)42/h7-9,13-15,19,40-42H,4-6,10-12,16-18,32H2,1-3H3,(H,33,43)(H,34,44)(H,35,45).
What are the key properties of N-[2-[[6-amino-2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]hexyl]-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl]amino]ethyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide?
N-[2-[[6-amino-2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]hexyl]-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl]amino]ethyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide has a molecular weight of 670.72 g/mol, XLogP of -1.71, 16 rotatable bonds, 7 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-amino-2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]hexyl]-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl]amino]ethyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 69382008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).