N-[[3-(aminomethyl)-5,7-bis[[[1-(2,3-dihydroxypropyl)-4-oxo-3-phenylmethoxypyridine-2-carbonyl]amino]methyl]-1-adamantyl]methyl]-1-(2,3-dihydroxypropyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide

C62H73N7O15 — CID 25234889

IUPACN-[[3-(aminomethyl)-5,7-bis[[[1-(2,3-dihydroxypropyl)-4-oxo-3-phenylmethoxypyridine-2-carbonyl]amino]methyl]-1-adamantyl]methyl]-1-(2,3-dihydroxypropyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide
SMILESNCC12CC3(CNC(=O)c4c(OCc5ccccc5)c(=O)ccn4CC(O)CO)CC(CNC(=O)c4c(OCc5ccccc5)c(=O)ccn4CC(O)CO)(C1)CC(CNC(=O)c1c(OCc4ccccc4)c(=O)ccn1CC(O)CO)(C2)C3
InChIInChI=1S/C62H73N7O15/c63-37-59-31-60(38-64-56(79)50-53(82-28-41-10-4-1-5-11-41)47(76)16-19-67(50)22-44(73)25-70)34-61(32-59,39-65-57(80)51-54(83-29-42-12-6-2-7-13-42)48(77)17-20-68(51)23-45(74)26-71)36-62(33-59,35-60)40-66-58(81)52-55(84-30-43-14-8-3-9-15-43)49(78)18-21-69(52)24-46(75)27-72/h1-21,44-46,70-75H,22-40,63H2,(H,64,79)(H,65,80)(H,66,81)
InChIKeySJJJSBCSVSVBRD-UHFFFAOYSA-N
MW1156.30 g/mol
LogP1.84
Rot. Bonds28

About N-[[3-(aminomethyl)-5,7-bis[[[1-(2,3-dihydroxypropyl)-4-oxo-3-phenylmethoxypyridine-2-carbonyl]amino]methyl]-1-adamantyl]methyl]-1-(2,3-dihydroxypropyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide

N-[[3-(aminomethyl)-5,7-bis[[[1-(2,3-dihydroxypropyl)-4-oxo-3-phenylmethoxypyridine-2-carbonyl]amino]methyl]-1-adamantyl]methyl]-1-(2,3-dihydroxypropyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide (PubChem CID 25234889) has the molecular formula C62H73N7O15 and a molecular weight of 1156.30 g/mol. Its IUPAC name is N-[[3-(aminomethyl)-5,7-bis[[[1-(2,3-dihydroxypropyl)-4-oxo-3-phenylmethoxypyridine-2-carbonyl]amino]methyl]-1-adamantyl]methyl]-1-(2,3-dihydroxypropyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(aminomethyl)-5,7-bis[[[1-(2,3-dihydroxypropyl)-4-oxo-3-phenylmethoxypyridine-2-carbonyl]amino]methyl]-1-adamantyl]methyl]-1-(2,3-dihydroxypropyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide
PubChem CID25234889
Molecular FormulaC62H73N7O15
Molecular Weight1156.30 g/mol
Exact Mass1155.52
IUPAC NameN-[[3-(aminomethyl)-5,7-bis[[[1-(2,3-dihydroxypropyl)-4-oxo-3-phenylmethoxypyridine-2-carbonyl]amino]methyl]-1-adamantyl]methyl]-1-(2,3-dihydroxypropyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide
SMILESNCC12CC3(CNC(=O)c4c(OCc5ccccc5)c(=O)ccn4CC(O)CO)CC(CNC(=O)c4c(OCc5ccccc5)c(=O)ccn4CC(O)CO)(C1)CC(CNC(=O)c1c(OCc4ccccc4)c(=O)ccn1CC(O)CO)(C2)C3
InChIInChI=1S/C62H73N7O15/c63-37-59-31-60(38-64-56(79)50-53(82-28-41-10-4-1-5-11-41)47(76)16-19-67(50)22-44(73)25-70)34-61(32-59,39-65-57(80)51-54(83-29-42-12-6-2-7-13-42)48(77)17-20-68(51)23-45(74)26-71)36-62(33-59,35-60)40-66-58(81)52-55(84-30-43-14-8-3-9-15-43)49(78)18-21-69(52)24-46(75)27-72/h1-21,44-46,70-75H,22-40,63H2,(H,64,79)(H,65,80)(H,66,81)
InChIKeySJJJSBCSVSVBRD-UHFFFAOYSA-N
XLogP1.84
TPSA328.39 Ų
H-Bond Donors10
H-Bond Acceptors19
Rotatable Bonds28
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001156.30
LogP ≤ 51.84
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1019

Analyze N-[[3-(aminomethyl)-5,7-bis[[[1-(2,3-dihydroxypropyl)-4-oxo-3-phenylmethoxypyridine-2-carbonyl]amino]methyl]-1-adamantyl]methyl]-1-(2,3-dihydroxypropyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide with MolForge

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Related Compounds

N-[[3-(aminomethyl)-5,7-bis[[[1-(2,3-diphenoxypropyl)-4-oxo-3-phenylmethoxypyridine-2-carbonyl]amino]methyl]-1-adamantyl]methyl]-1-(2,3-diphenoxypropyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide
CID 25234953
N-[[(3S,5R)-3,5-bis[3-[1-(2,3-dihydroxypropyl)-4-oxo-3-phenylmethoxy-2-pyridinyl]-3-oxopropyl]-7-[[6-(4-methyltriazol-1-yl)hexanoylamino]methyl]-1-adamantyl]methyl]-1-(2,3-dihydroxypropyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide
CID 58390553
N-[[(5R,7S)-3-[(6-azidohexanoylamino)methyl]-5,7-bis[3-oxo-3-[4-oxo-3-phenylmethoxy-1-(2,3,4-trihydroxybutyl)-2-pyridinyl]propyl]-1-adamantyl]methyl]-4-oxo-3-phenylmethoxy-1-(2,3,4-trihydroxybutyl)pyridine-2-carboxamide
CID 58390586
1-(2-hydroxyethyl)-4-oxo-3-phenylmethoxy-N-propylpyridine-2-carboxamide
CID 143761971
N-[[(1R,12S,14S,16R)-16-(aminomethyl)-6-(2,3-dihydroxypropyl)-12-[[[1-(2,3-dihydroxypropyl)-3-hydroxy-4-oxopyridine-2-carbonyl]amino]methyl]-4,9-dioxo-3,6-diazapentacyclo[12.3.1.112,16.01,11.05,10]nonadeca-5(10),7-dien-14-yl]methyl]-1-(2,3-dihydroxypropyl)-3-hydroxy-4-oxopyridine-2-carboxamide
CID 147531274
4-oxo-3-phenylmethoxy-1-prop-2-enylpyridine-2-carboxylic acid
CID 58489013
methyl 5-bromo-1-(2,3-dihydroxypropyl)-4-oxo-3-phenylmethoxypyridine-2-carboxylate
CID 58277229
1-amino-N-(4,4-dimethoxybutyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide
CID 70369313
3-butoxy-1-(2,3-dihydroxypropyl)-4-oxopyridine-2-carboxamide
CID 71030988
sodium;3-aminopropane-1,2-diol;1-[2,3-bis(phenylmethoxy)propyl]-2-methyl-3-phenylmethoxypyridin-4-one;1-[2,3-bis(phenylmethoxy)propyl]-4-oxo-3-phenylmethoxypyridine-2-carbaldehyde;1-[2,3-bis(phenylmethoxy)propyl]-4-oxo-3-phenylmethoxypyridine-2-carboxylic acid;1-(2,3-dihydroxypropyl)-2-methyl-3-phenylmethoxypyridin-4-one;hydride;2-methyl-3-phenylmethoxypyran-4-one
CID 162157050
1-amino-N-(oxan-4-ylmethyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide
CID 147078331
N-[4-amino-7-[[1-(2-hydroxyethyl)-4-oxo-3-phenylmethoxypyridine-2-carbonyl]amino]-4-[3-[[1-(2-hydroxyethyl)-4-oxo-3-phenylmethoxypyridine-2-carbonyl]amino]propyl]heptyl]-3-(cyclohexa-2,4-dien-1-ylmethoxy)-1-(2-hydroxyethyl)-4-oxopyridine-2-carboxamide
CID 89256879

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)-5,7-bis[[[1-(2,3-dihydroxypropyl)-4-oxo-3-phenylmethoxypyridine-2-carbonyl]amino]methyl]-1-adamantyl]methyl]-1-(2,3-dihydroxypropyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide?
The IUPAC name of N-[[3-(aminomethyl)-5,7-bis[[[1-(2,3-dihydroxypropyl)-4-oxo-3-phenylmethoxypyridine-2-carbonyl]amino]methyl]-1-adamantyl]methyl]-1-(2,3-dihydroxypropyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide (CID 25234889) is N-[[3-(aminomethyl)-5,7-bis[[[1-(2,3-dihydroxypropyl)-4-oxo-3-phenylmethoxypyridine-2-carbonyl]amino]methyl]-1-adamantyl]methyl]-1-(2,3-dihydroxypropyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide.
What is the SMILES notation for N-[[3-(aminomethyl)-5,7-bis[[[1-(2,3-dihydroxypropyl)-4-oxo-3-phenylmethoxypyridine-2-carbonyl]amino]methyl]-1-adamantyl]methyl]-1-(2,3-dihydroxypropyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide?
The canonical SMILES for N-[[3-(aminomethyl)-5,7-bis[[[1-(2,3-dihydroxypropyl)-4-oxo-3-phenylmethoxypyridine-2-carbonyl]amino]methyl]-1-adamantyl]methyl]-1-(2,3-dihydroxypropyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide is NCC12CC3(CNC(=O)c4c(OCc5ccccc5)c(=O)ccn4CC(O)CO)CC(CNC(=O)c4c(OCc5ccccc5)c(=O)ccn4CC(O)CO)(C1)CC(CNC(=O)c1c(OCc4ccccc4)c(=O)ccn1CC(O)CO)(C2)C3.
What is the InChIKey of N-[[3-(aminomethyl)-5,7-bis[[[1-(2,3-dihydroxypropyl)-4-oxo-3-phenylmethoxypyridine-2-carbonyl]amino]methyl]-1-adamantyl]methyl]-1-(2,3-dihydroxypropyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide?
The InChIKey is SJJJSBCSVSVBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H73N7O15/c63-37-59-31-60(38-64-56(79)50-53(82-28-41-10-4-1-5-11-41)47(76)16-19-67(50)22-44(73)25-70)34-61(32-59,39-65-57(80)51-54(83-29-42-12-6-2-7-13-42)48(77)17-20-68(51)23-45(74)26-71)36-62(33-59,35-60)40-66-58(81)52-55(84-30-43-14-8-3-9-15-43)49(78)18-21-69(52)24-46(75)27-72/h1-21,44-46,70-75H,22-40,63H2,(H,64,79)(H,65,80)(H,66,81).
What are the key properties of N-[[3-(aminomethyl)-5,7-bis[[[1-(2,3-dihydroxypropyl)-4-oxo-3-phenylmethoxypyridine-2-carbonyl]amino]methyl]-1-adamantyl]methyl]-1-(2,3-dihydroxypropyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide?
N-[[3-(aminomethyl)-5,7-bis[[[1-(2,3-dihydroxypropyl)-4-oxo-3-phenylmethoxypyridine-2-carbonyl]amino]methyl]-1-adamantyl]methyl]-1-(2,3-dihydroxypropyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide has a molecular weight of 1156.30 g/mol, XLogP of 1.84, 28 rotatable bonds, 10 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)-5,7-bis[[[1-(2,3-dihydroxypropyl)-4-oxo-3-phenylmethoxypyridine-2-carbonyl]amino]methyl]-1-adamantyl]methyl]-1-(2,3-dihydroxypropyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide is sourced from PubChem (CID 25234889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).