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

C30H39N7O9 — CID 69382109

IUPAC3-hydroxy-N-[2-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]pentyl]amino]ethyl]-1-methyl-2-oxopyridine-4-carboxamide
SMILESCCCC(CN(CCNC(=O)c1ccn(C)c(=O)c1O)CCNC(=O)c1ccn(C)c(=O)c1O)NC(=O)c1ccn(C)c(=O)c1O
InChIInChI=1S/C30H39N7O9/c1-5-6-18(33-27(43)21-9-14-36(4)30(46)24(21)40)17-37(15-10-31-25(41)19-7-12-34(2)28(44)22(19)38)16-11-32-26(42)20-8-13-35(3)29(45)23(20)39/h7-9,12-14,18,38-40H,5-6,10-11,15-17H2,1-4H3,(H,31,41)(H,32,42)(H,33,43)
InChIKeyBORQLCCJKJZRNW-UHFFFAOYSA-N
MW641.68 g/mol
LogP-1.04
Rot. Bonds14

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

3-hydroxy-N-[2-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]pentyl]amino]ethyl]-1-methyl-2-oxopyridine-4-carboxamide (PubChem CID 69382109) has the molecular formula C30H39N7O9 and a molecular weight of 641.68 g/mol. Its IUPAC name is 3-hydroxy-N-[2-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]pentyl]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-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]pentyl]amino]ethyl]-1-methyl-2-oxopyridine-4-carboxamide
PubChem CID69382109
Molecular FormulaC30H39N7O9
Molecular Weight641.68 g/mol
Exact Mass641.28
IUPAC Name3-hydroxy-N-[2-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]pentyl]amino]ethyl]-1-methyl-2-oxopyridine-4-carboxamide
SMILESCCCC(CN(CCNC(=O)c1ccn(C)c(=O)c1O)CCNC(=O)c1ccn(C)c(=O)c1O)NC(=O)c1ccn(C)c(=O)c1O
InChIInChI=1S/C30H39N7O9/c1-5-6-18(33-27(43)21-9-14-36(4)30(46)24(21)40)17-37(15-10-31-25(41)19-7-12-34(2)28(44)22(19)38)16-11-32-26(42)20-8-13-35(3)29(45)23(20)39/h7-9,12-14,18,38-40H,5-6,10-11,15-17H2,1-4H3,(H,31,41)(H,32,42)(H,33,43)
InChIKeyBORQLCCJKJZRNW-UHFFFAOYSA-N
XLogP-1.04
TPSA217.23 Ų
H-Bond Donors6
H-Bond Acceptors13
Rotatable Bonds14
Heavy Atoms46
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500641.68
LogP ≤ 5-1.04
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1013

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

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Related Compounds

N-[2-[bis[2-[(3-hydroxy-1-methyl-2-oxo-pyridine-4-carbonyl)amino]ethyl]amino]ethyl]-3-hydroxy-1-methyl-2-oxo-pyridine-4-carboxamide
CID 391971
3-hydroxy-N-[5-[(3-hydroxy-1-methyl-2-oxo-pyridine-4-carbonyl)amino]pentyl]-1-methyl-2-oxo-pyridine-4-carboxamide
CID 391979
3-hydroxy-N-[3-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]propyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 54691395
N-[2-[2-[bis[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl]amino]ethyl-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl]amino]ethyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide
CID 54705565
N-[2-[3-[bis[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl]amino]propyl-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl]amino]ethyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide
CID 54708477
3-hydroxy-N-[4-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]butyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 54711325
3-hydroxy-N-[6-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]hexyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 54711951
N-[2-[4-[bis[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl]amino]butyl-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl]amino]ethyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide
CID 54713411
N-[3-[bis[3-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]propyl]amino]propyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide
CID 54706387
3-hydroxy-N-[2-[2-[(3-hydroxy-1-methyl-2-oxo-pyridine-4-carbonyl)amino]ethyl-[2-[(1-hydroxy-6-oxo-pyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-methyl-2-oxo-pyridine-4-carboxamide
CID 391973
PR-Me-3,2-HOPO
CID 139131195
3-hydroxy-4-[[4-[(3-hydroxy-2-oxo-1H-pyridin-4-yl)methyl]piperazine-1,4-diium-1-yl]methyl]-1H-pyridin-2-one
CID 134940361

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-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]pentyl]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-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]pentyl]amino]ethyl]-1-methyl-2-oxopyridine-4-carboxamide (CID 69382109) is 3-hydroxy-N-[2-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]pentyl]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-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]pentyl]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-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]pentyl]amino]ethyl]-1-methyl-2-oxopyridine-4-carboxamide is CCCC(CN(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-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]pentyl]amino]ethyl]-1-methyl-2-oxopyridine-4-carboxamide?
The InChIKey is BORQLCCJKJZRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N7O9/c1-5-6-18(33-27(43)21-9-14-36(4)30(46)24(21)40)17-37(15-10-31-25(41)19-7-12-34(2)28(44)22(19)38)16-11-32-26(42)20-8-13-35(3)29(45)23(20)39/h7-9,12-14,18,38-40H,5-6,10-11,15-17H2,1-4H3,(H,31,41)(H,32,42)(H,33,43).
What are the key properties of 3-hydroxy-N-[2-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]pentyl]amino]ethyl]-1-methyl-2-oxopyridine-4-carboxamide?
3-hydroxy-N-[2-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]pentyl]amino]ethyl]-1-methyl-2-oxopyridine-4-carboxamide has a molecular weight of 641.68 g/mol, XLogP of -1.04, 14 rotatable bonds, 6 hydrogen bond donors, and 13 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-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]pentyl]amino]ethyl]-1-methyl-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 69382109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).