2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)-N-[3-[[2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetyl]-[2-[[2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetyl]amino]ethyl]amino]propyl]acetamide

C29H36N6O9 — CID 54449812

IUPAC2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)-N-[3-[[2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetyl]-[2-[[2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetyl]amino]ethyl]amino]propyl]acetamide
SMILESCc1c(O)c(=O)ccn1CC(=O)NCCCN(CCNC(=O)Cn1ccc(=O)c(O)c1C)C(=O)Cn1ccc(=O)c(O)c1C
InChIInChI=1S/C29H36N6O9/c1-18-27(42)21(36)5-11-33(18)15-24(39)30-8-4-10-32(26(41)17-35-13-7-23(38)29(44)20(35)3)14-9-31-25(40)16-34-12-6-22(37)28(43)19(34)2/h5-7,11-13,42-44H,4,8-10,14-17H2,1-3H3,(H,30,39)(H,31,40)
InChIKeyWUDHYNGBCMZNKE-UHFFFAOYSA-N
MW612.64 g/mol
LogP-0.93
Rot. Bonds13

About 2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)-N-[3-[[2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetyl]-[2-[[2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetyl]amino]ethyl]amino]propyl]acetamide

2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)-N-[3-[[2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetyl]-[2-[[2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetyl]amino]ethyl]amino]propyl]acetamide (PubChem CID 54449812) has the molecular formula C29H36N6O9 and a molecular weight of 612.64 g/mol. Its IUPAC name is 2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)-N-[3-[[2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetyl]-[2-[[2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetyl]amino]ethyl]amino]propyl]acetamide.

Molecular Properties

Compound Name2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)-N-[3-[[2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetyl]-[2-[[2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetyl]amino]ethyl]amino]propyl]acetamide
PubChem CID54449812
Molecular FormulaC29H36N6O9
Molecular Weight612.64 g/mol
Exact Mass612.25
IUPAC Name2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)-N-[3-[[2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetyl]-[2-[[2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetyl]amino]ethyl]amino]propyl]acetamide
SMILESCc1c(O)c(=O)ccn1CC(=O)NCCCN(CCNC(=O)Cn1ccc(=O)c(O)c1C)C(=O)Cn1ccc(=O)c(O)c1C
InChIInChI=1S/C29H36N6O9/c1-18-27(42)21(36)5-11-33(18)15-24(39)30-8-4-10-32(26(41)17-35-13-7-23(38)29(44)20(35)3)14-9-31-25(40)16-34-12-6-22(37)28(43)19(34)2/h5-7,11-13,42-44H,4,8-10,14-17H2,1-3H3,(H,30,39)(H,31,40)
InChIKeyWUDHYNGBCMZNKE-UHFFFAOYSA-N
XLogP-0.93
TPSA205.20 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.64
LogP ≤ 5-0.93
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

CID 54737932
CID 54737932
CID 54737736
CID 54737736
CID 44328242
CID 44328242
CID 76324178
CID 76324178
CID 54746410
CID 54746410
CID 59227360
CID 59227360
CID 71722142
CID 71722142
CID 76313282
CID 76313282
CID 76320528
CID 76320528
CID 76320529
CID 76320529
CID 54684254
CID 54684254
CID 54684255
CID 54684255

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)-N-[3-[[2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetyl]-[2-[[2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetyl]amino]ethyl]amino]propyl]acetamide?
The IUPAC name of 2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)-N-[3-[[2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetyl]-[2-[[2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetyl]amino]ethyl]amino]propyl]acetamide (CID 54449812) is 2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)-N-[3-[[2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetyl]-[2-[[2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetyl]amino]ethyl]amino]propyl]acetamide.
What is the SMILES notation for 2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)-N-[3-[[2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetyl]-[2-[[2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetyl]amino]ethyl]amino]propyl]acetamide?
The canonical SMILES for 2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)-N-[3-[[2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetyl]-[2-[[2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetyl]amino]ethyl]amino]propyl]acetamide is Cc1c(O)c(=O)ccn1CC(=O)NCCCN(CCNC(=O)Cn1ccc(=O)c(O)c1C)C(=O)Cn1ccc(=O)c(O)c1C.
What is the InChIKey of 2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)-N-[3-[[2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetyl]-[2-[[2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetyl]amino]ethyl]amino]propyl]acetamide?
The InChIKey is WUDHYNGBCMZNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N6O9/c1-18-27(42)21(36)5-11-33(18)15-24(39)30-8-4-10-32(26(41)17-35-13-7-23(38)29(44)20(35)3)14-9-31-25(40)16-34-12-6-22(37)28(43)19(34)2/h5-7,11-13,42-44H,4,8-10,14-17H2,1-3H3,(H,30,39)(H,31,40).
What are the key properties of 2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)-N-[3-[[2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetyl]-[2-[[2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetyl]amino]ethyl]amino]propyl]acetamide?
2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)-N-[3-[[2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetyl]-[2-[[2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetyl]amino]ethyl]amino]propyl]acetamide has a molecular weight of 612.64 g/mol, XLogP of -0.93, 13 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)-N-[3-[[2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetyl]-[2-[[2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)acetyl]amino]ethyl]amino]propyl]acetamide is sourced from PubChem (CID 54449812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).