7-methyl-1-(naphthalen-2-ylmethyl)-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-3,6-bis(hydroxymethyl)oxan-3-yl]indole-3-carboxamide

C28H30N2O7 — CID 145438494

IUPAC7-methyl-1-(naphthalen-2-ylmethyl)-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-3,6-bis(hydroxymethyl)oxan-3-yl]indole-3-carboxamide
SMILESCc1cccc2c(C(=O)N[C@@]3(CO)C(O)O[C@H](CO)[C@@H](O)[C@@H]3O)cn(Cc3ccc4ccccc4c3)c12
InChIInChI=1S/C28H30N2O7/c1-16-5-4-8-20-21(26(35)29-28(15-32)25(34)24(33)22(14-31)37-27(28)36)13-30(23(16)20)12-17-9-10-18-6-2-3-7-19(18)11-17/h2-11,13,22,24-25,27,31-34,36H,12,14-15H2,1H3,(H,29,35)/t22-,24-,25+,27?,28-/m1/s1
InChIKeyDGDBDQXGUQZZRF-NDJATNLGSA-N
MW506.56 g/mol
LogP1.04
Rot. Bonds6

About 7-methyl-1-(naphthalen-2-ylmethyl)-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-3,6-bis(hydroxymethyl)oxan-3-yl]indole-3-carboxamide

7-methyl-1-(naphthalen-2-ylmethyl)-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-3,6-bis(hydroxymethyl)oxan-3-yl]indole-3-carboxamide (PubChem CID 145438494) has the molecular formula C28H30N2O7 and a molecular weight of 506.56 g/mol. Its IUPAC name is 7-methyl-1-(naphthalen-2-ylmethyl)-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-3,6-bis(hydroxymethyl)oxan-3-yl]indole-3-carboxamide.

Molecular Properties

Compound Name7-methyl-1-(naphthalen-2-ylmethyl)-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-3,6-bis(hydroxymethyl)oxan-3-yl]indole-3-carboxamide
PubChem CID145438494
Molecular FormulaC28H30N2O7
Molecular Weight506.56 g/mol
Exact Mass506.21
IUPAC Name7-methyl-1-(naphthalen-2-ylmethyl)-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-3,6-bis(hydroxymethyl)oxan-3-yl]indole-3-carboxamide
SMILESCc1cccc2c(C(=O)N[C@@]3(CO)C(O)O[C@H](CO)[C@@H](O)[C@@H]3O)cn(Cc3ccc4ccccc4c3)c12
InChIInChI=1S/C28H30N2O7/c1-16-5-4-8-20-21(26(35)29-28(15-32)25(34)24(33)22(14-31)37-27(28)36)13-30(23(16)20)12-17-9-10-18-6-2-3-7-19(18)11-17/h2-11,13,22,24-25,27,31-34,36H,12,14-15H2,1H3,(H,29,35)/t22-,24-,25+,27?,28-/m1/s1
InChIKeyDGDBDQXGUQZZRF-NDJATNLGSA-N
XLogP1.04
TPSA144.41 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.56
LogP ≤ 51.04
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Analyze 7-methyl-1-(naphthalen-2-ylmethyl)-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-3,6-bis(hydroxymethyl)oxan-3-yl]indole-3-carboxamide with MolForge

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Related Compounds

6-chloro-5-fluoro-1-(naphthalen-2-ylmethyl)-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-3,6-bis(hydroxymethyl)oxan-3-yl]indole-3-carboxamide
CID 145438570
4-methoxy-1-(naphthalen-2-ylmethyl)-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-3,6-bis(hydroxymethyl)oxan-3-yl]indole-3-carboxamide
CID 145438409
6-(2-morpholin-4-ylethoxy)-1-(naphthalen-2-ylmethyl)-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-3,6-bis(hydroxymethyl)oxan-3-yl]indole-3-carboxamide
CID 145438414
5-fluoro-1-(naphthalen-2-ylmethyl)-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)-3-methyloxan-3-yl]indole-3-carboxamide
CID 145438553
1-[(3-tert-butylphenyl)methyl]-6-methoxy-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-3,6-bis(hydroxymethyl)oxan-3-yl]indole-3-carboxamide
CID 145438334
4-fluoro-6-methoxy-1-(naphthalen-2-ylmethyl)-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)-3-methyloxan-3-yl]indole-3-carboxamide
CID 145438593
6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(naphthalen-2-ylmethyl)-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]indole-3-carboxamide
CID 145201624
1-[(3,4-dichlorophenyl)methyl]-6-methoxy-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-3,6-bis(hydroxymethyl)oxan-3-yl]indazole-3-carboxamide
CID 145438618
(3R,4S,5S,6R)-6-(hydroxymethyl)-3-naphthalen-1-yloxane-2,3,4,5-tetrol
CID 154944068
[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-[5-(naphthalen-2-ylmethylcarbamoyl)-2,4-dioxopyrimidin-1-yl]oxolan-3-yl] hypofluorite
CID 134227330
N-[4,5-dihydroxy-6-(hydroxymethyl)-2-(naphthalen-2-ylmethylsulfanyl)oxan-3-yl]acetamide
CID 137410513
1-(naphthalen-2-ylmethyl)-4-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 68637536

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-(naphthalen-2-ylmethyl)-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-3,6-bis(hydroxymethyl)oxan-3-yl]indole-3-carboxamide?
The IUPAC name of 7-methyl-1-(naphthalen-2-ylmethyl)-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-3,6-bis(hydroxymethyl)oxan-3-yl]indole-3-carboxamide (CID 145438494) is 7-methyl-1-(naphthalen-2-ylmethyl)-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-3,6-bis(hydroxymethyl)oxan-3-yl]indole-3-carboxamide.
What is the SMILES notation for 7-methyl-1-(naphthalen-2-ylmethyl)-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-3,6-bis(hydroxymethyl)oxan-3-yl]indole-3-carboxamide?
The canonical SMILES for 7-methyl-1-(naphthalen-2-ylmethyl)-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-3,6-bis(hydroxymethyl)oxan-3-yl]indole-3-carboxamide is Cc1cccc2c(C(=O)N[C@@]3(CO)C(O)O[C@H](CO)[C@@H](O)[C@@H]3O)cn(Cc3ccc4ccccc4c3)c12.
What is the InChIKey of 7-methyl-1-(naphthalen-2-ylmethyl)-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-3,6-bis(hydroxymethyl)oxan-3-yl]indole-3-carboxamide?
The InChIKey is DGDBDQXGUQZZRF-NDJATNLGSA-N. The full InChI is InChI=1S/C28H30N2O7/c1-16-5-4-8-20-21(26(35)29-28(15-32)25(34)24(33)22(14-31)37-27(28)36)13-30(23(16)20)12-17-9-10-18-6-2-3-7-19(18)11-17/h2-11,13,22,24-25,27,31-34,36H,12,14-15H2,1H3,(H,29,35)/t22-,24-,25+,27?,28-/m1/s1.
What are the key properties of 7-methyl-1-(naphthalen-2-ylmethyl)-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-3,6-bis(hydroxymethyl)oxan-3-yl]indole-3-carboxamide?
7-methyl-1-(naphthalen-2-ylmethyl)-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-3,6-bis(hydroxymethyl)oxan-3-yl]indole-3-carboxamide has a molecular weight of 506.56 g/mol, XLogP of 1.04, 6 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-(naphthalen-2-ylmethyl)-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-3,6-bis(hydroxymethyl)oxan-3-yl]indole-3-carboxamide is sourced from PubChem (CID 145438494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).