3-hydroxy-N-[2-[2-[[3-hydroxy-1-(2-hydroxyprop-2-enyl)-6-methyl-2-oxopyridine-4-carbonyl]amino]ethylamino]ethyl]-1-[(4-methoxyphenyl)methyl]-6-methyl-2-oxopyridine-4-carboxamide

C29H35N5O8 — CID 54681024

IUPAC3-hydroxy-N-[2-[2-[[3-hydroxy-1-(2-hydroxyprop-2-enyl)-6-methyl-2-oxopyridine-4-carbonyl]amino]ethylamino]ethyl]-1-[(4-methoxyphenyl)methyl]-6-methyl-2-oxopyridine-4-carboxamide
SMILESC=C(O)Cn1c(C)cc(C(=O)NCCNCCNC(=O)c2cc(C)n(Cc3ccc(OC)cc3)c(=O)c2O)c(O)c1=O
InChIInChI=1S/C29H35N5O8/c1-17-13-22(24(36)28(40)33(17)15-19(3)35)26(38)31-11-9-30-10-12-32-27(39)23-14-18(2)34(29(41)25(23)37)16-20-5-7-21(42-4)8-6-20/h5-8,13-14,30,35-37H,3,9-12,15-16H2,1-2,4H3,(H,31,38)(H,32,39)
InChIKeyKGFFEIPWMRJBPU-UHFFFAOYSA-N
MW581.63 g/mol
LogP0.92
Rot. Bonds13

About 3-hydroxy-N-[2-[2-[[3-hydroxy-1-(2-hydroxyprop-2-enyl)-6-methyl-2-oxopyridine-4-carbonyl]amino]ethylamino]ethyl]-1-[(4-methoxyphenyl)methyl]-6-methyl-2-oxopyridine-4-carboxamide

3-hydroxy-N-[2-[2-[[3-hydroxy-1-(2-hydroxyprop-2-enyl)-6-methyl-2-oxopyridine-4-carbonyl]amino]ethylamino]ethyl]-1-[(4-methoxyphenyl)methyl]-6-methyl-2-oxopyridine-4-carboxamide (PubChem CID 54681024) has the molecular formula C29H35N5O8 and a molecular weight of 581.63 g/mol. Its IUPAC name is 3-hydroxy-N-[2-[2-[[3-hydroxy-1-(2-hydroxyprop-2-enyl)-6-methyl-2-oxopyridine-4-carbonyl]amino]ethylamino]ethyl]-1-[(4-methoxyphenyl)methyl]-6-methyl-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[2-[2-[[3-hydroxy-1-(2-hydroxyprop-2-enyl)-6-methyl-2-oxopyridine-4-carbonyl]amino]ethylamino]ethyl]-1-[(4-methoxyphenyl)methyl]-6-methyl-2-oxopyridine-4-carboxamide
PubChem CID54681024
Molecular FormulaC29H35N5O8
Molecular Weight581.63 g/mol
Exact Mass581.25
IUPAC Name3-hydroxy-N-[2-[2-[[3-hydroxy-1-(2-hydroxyprop-2-enyl)-6-methyl-2-oxopyridine-4-carbonyl]amino]ethylamino]ethyl]-1-[(4-methoxyphenyl)methyl]-6-methyl-2-oxopyridine-4-carboxamide
SMILESC=C(O)Cn1c(C)cc(C(=O)NCCNCCNC(=O)c2cc(C)n(Cc3ccc(OC)cc3)c(=O)c2O)c(O)c1=O
InChIInChI=1S/C29H35N5O8/c1-17-13-22(24(36)28(40)33(17)15-19(3)35)26(38)31-11-9-30-10-12-32-27(39)23-14-18(2)34(29(41)25(23)37)16-20-5-7-21(42-4)8-6-20/h5-8,13-14,30,35-37H,3,9-12,15-16H2,1-2,4H3,(H,31,38)(H,32,39)
InChIKeyKGFFEIPWMRJBPU-UHFFFAOYSA-N
XLogP0.92
TPSA184.15 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms42
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500581.63
LogP ≤ 50.92
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-hydroxy-N-[2-[2-[[3-hydroxy-1-(2-hydroxyprop-2-enyl)-6-methyl-2-oxopyridine-4-carbonyl]amino]ethylamino]ethyl]-1-[(4-methoxyphenyl)methyl]-6-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

Related Compounds

2,5-Bis[6-[ethyl-[(4-methoxyphenyl)methyl]amino]hexylamino]cyclohexa-2,5-diene-1,4-dione
CID 10416599
(E)-N-hydroxy-3-[1-[(4-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]prop-2-enamide
CID 49847221
7-(4-Methoxyphenyl)-1-methyl-2,3,4,6-tetrahydro-1,6-naphthyridin-5-one
CID 76280732
2(1H)-Pyridinone, 5-ethyl-3-(((4-methoxyphenyl)methyl)amino)-6-methyl-
CID 454363
1-(L-leucyl)-N-{(2S)-1-[(4-methoxybenzyl)amino]-3-methyl-1-oxobutan-2-yl}piperidine-4-carboxamide
CID 16401978
5-hydroxy-N-[(4-methoxyphenyl)methyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide
CID 168295620
3-Hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid 4-methoxy-benzyl ester
CID 54685358
Antibacterial synergist 1
CID 163196278
N-[(3-hydroxy-6-methyl-4-oxo-1-propyl-2-pyridinyl)methyl]-4-methoxybenzamide
CID 166633751
N-[[4-(4-fluorophenoxy)phenyl]methyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide
CID 71515496
4-hydroxy-1-methyl-N-[[4-(oxan-4-yloxy)phenyl]methyl]-5-oxo-2H-pyrrole-3-carboxamide
CID 71548654
4-hydroxy-1-methyl-5-oxo-N-[(4-phenoxyphenyl)methyl]-2H-pyrrole-3-carboxamide
CID 90330599

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[2-[2-[[3-hydroxy-1-(2-hydroxyprop-2-enyl)-6-methyl-2-oxopyridine-4-carbonyl]amino]ethylamino]ethyl]-1-[(4-methoxyphenyl)methyl]-6-methyl-2-oxopyridine-4-carboxamide?
The IUPAC name of 3-hydroxy-N-[2-[2-[[3-hydroxy-1-(2-hydroxyprop-2-enyl)-6-methyl-2-oxopyridine-4-carbonyl]amino]ethylamino]ethyl]-1-[(4-methoxyphenyl)methyl]-6-methyl-2-oxopyridine-4-carboxamide (CID 54681024) is 3-hydroxy-N-[2-[2-[[3-hydroxy-1-(2-hydroxyprop-2-enyl)-6-methyl-2-oxopyridine-4-carbonyl]amino]ethylamino]ethyl]-1-[(4-methoxyphenyl)methyl]-6-methyl-2-oxopyridine-4-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[2-[2-[[3-hydroxy-1-(2-hydroxyprop-2-enyl)-6-methyl-2-oxopyridine-4-carbonyl]amino]ethylamino]ethyl]-1-[(4-methoxyphenyl)methyl]-6-methyl-2-oxopyridine-4-carboxamide?
The canonical SMILES for 3-hydroxy-N-[2-[2-[[3-hydroxy-1-(2-hydroxyprop-2-enyl)-6-methyl-2-oxopyridine-4-carbonyl]amino]ethylamino]ethyl]-1-[(4-methoxyphenyl)methyl]-6-methyl-2-oxopyridine-4-carboxamide is C=C(O)Cn1c(C)cc(C(=O)NCCNCCNC(=O)c2cc(C)n(Cc3ccc(OC)cc3)c(=O)c2O)c(O)c1=O.
What is the InChIKey of 3-hydroxy-N-[2-[2-[[3-hydroxy-1-(2-hydroxyprop-2-enyl)-6-methyl-2-oxopyridine-4-carbonyl]amino]ethylamino]ethyl]-1-[(4-methoxyphenyl)methyl]-6-methyl-2-oxopyridine-4-carboxamide?
The InChIKey is KGFFEIPWMRJBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N5O8/c1-17-13-22(24(36)28(40)33(17)15-19(3)35)26(38)31-11-9-30-10-12-32-27(39)23-14-18(2)34(29(41)25(23)37)16-20-5-7-21(42-4)8-6-20/h5-8,13-14,30,35-37H,3,9-12,15-16H2,1-2,4H3,(H,31,38)(H,32,39).
What are the key properties of 3-hydroxy-N-[2-[2-[[3-hydroxy-1-(2-hydroxyprop-2-enyl)-6-methyl-2-oxopyridine-4-carbonyl]amino]ethylamino]ethyl]-1-[(4-methoxyphenyl)methyl]-6-methyl-2-oxopyridine-4-carboxamide?
3-hydroxy-N-[2-[2-[[3-hydroxy-1-(2-hydroxyprop-2-enyl)-6-methyl-2-oxopyridine-4-carbonyl]amino]ethylamino]ethyl]-1-[(4-methoxyphenyl)methyl]-6-methyl-2-oxopyridine-4-carboxamide has a molecular weight of 581.63 g/mol, XLogP of 0.92, 13 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[2-[2-[[3-hydroxy-1-(2-hydroxyprop-2-enyl)-6-methyl-2-oxopyridine-4-carbonyl]amino]ethylamino]ethyl]-1-[(4-methoxyphenyl)methyl]-6-methyl-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 54681024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).