6-naphthalen-2-yl-2-[(2E)-2-[(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexylidene]hydrazinyl]-4-phenylpyridine-3-carbonitrile

C28H26N4O5 — CID 72694814

IUPAC6-naphthalen-2-yl-2-[(2E)-2-[(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexylidene]hydrazinyl]-4-phenylpyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2)cc(-c2ccc3ccccc3c2)nc1N/N=C/[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)CO
InChIInChI=1S/C28H26N4O5/c29-14-22-21(18-7-2-1-3-8-18)13-23(20-11-10-17-6-4-5-9-19(17)12-20)31-28(22)32-30-15-24(34)26(36)27(37)25(35)16-33/h1-13,15,24-27,33-37H,16H2,(H,31,32)/b30-15+/t24-,25-,26+,27+/m1/s1
InChIKeyUQLBDVSHBBYVOP-LPCTTWCHSA-N
MW498.54 g/mol
LogP2.27
Rot. Bonds9

About 6-naphthalen-2-yl-2-[(2E)-2-[(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexylidene]hydrazinyl]-4-phenylpyridine-3-carbonitrile

6-naphthalen-2-yl-2-[(2E)-2-[(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexylidene]hydrazinyl]-4-phenylpyridine-3-carbonitrile (PubChem CID 72694814) has the molecular formula C28H26N4O5 and a molecular weight of 498.54 g/mol. Its IUPAC name is 6-naphthalen-2-yl-2-[(2E)-2-[(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexylidene]hydrazinyl]-4-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-naphthalen-2-yl-2-[(2E)-2-[(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexylidene]hydrazinyl]-4-phenylpyridine-3-carbonitrile
PubChem CID72694814
Molecular FormulaC28H26N4O5
Molecular Weight498.54 g/mol
Exact Mass498.19
IUPAC Name6-naphthalen-2-yl-2-[(2E)-2-[(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexylidene]hydrazinyl]-4-phenylpyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2)cc(-c2ccc3ccccc3c2)nc1N/N=C/[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)CO
InChIInChI=1S/C28H26N4O5/c29-14-22-21(18-7-2-1-3-8-18)13-23(20-11-10-17-6-4-5-9-19(17)12-20)31-28(22)32-30-15-24(34)26(36)27(37)25(35)16-33/h1-13,15,24-27,33-37H,16H2,(H,31,32)/b30-15+/t24-,25-,26+,27+/m1/s1
InChIKeyUQLBDVSHBBYVOP-LPCTTWCHSA-N
XLogP2.27
TPSA162.22 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.54
LogP ≤ 52.27
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyanilino)-4,6-diphenylpyridine-3-carbonitrile
CID 3360693
(2R,3R,4R,5S,6E)-6-[[6-(4-chlorophenyl)-4-[(2-methoxyphenyl)methyl]pyridazin-3-yl]hydrazinylidene]hexane-1,2,3,4,5-pentol
CID 42630942
6-(3,4-dimethylphenyl)-2-hydrazinyl-4-phenylpyridine-3-carbonitrile
CID 71325021
2-(benzylamino)-4-(4-propan-2-ylphenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridine-3-carbonitrile
CID 44515785
2-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 154613695
2-(cyclohexylamino)-4,6-diphenylpyridine-3-carbonitrile
CID 3439401
2-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 163413584
2,4-bis[4-(4,6-diphenyl-2-pyridinyl)phenyl]-6-naphthalen-2-ylpyrimidine
CID 70936394
2-methyl-4,6-diphenylpyridine-3-carbonitrile
CID 4135564
4-[4-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]sulfanylphenyl]-2,6-dinaphthalen-2-ylpyrimidine
CID 140904971
2-ethyl-4,6-diphenylpyridine-3-carbonitrile
CID 102404081
2-[4-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]naphthalen-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 126681837

Frequently Asked Questions

What is the IUPAC name of 6-naphthalen-2-yl-2-[(2E)-2-[(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexylidene]hydrazinyl]-4-phenylpyridine-3-carbonitrile?
The IUPAC name of 6-naphthalen-2-yl-2-[(2E)-2-[(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexylidene]hydrazinyl]-4-phenylpyridine-3-carbonitrile (CID 72694814) is 6-naphthalen-2-yl-2-[(2E)-2-[(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexylidene]hydrazinyl]-4-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 6-naphthalen-2-yl-2-[(2E)-2-[(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexylidene]hydrazinyl]-4-phenylpyridine-3-carbonitrile?
The canonical SMILES for 6-naphthalen-2-yl-2-[(2E)-2-[(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexylidene]hydrazinyl]-4-phenylpyridine-3-carbonitrile is N#Cc1c(-c2ccccc2)cc(-c2ccc3ccccc3c2)nc1N/N=C/[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)CO.
What is the InChIKey of 6-naphthalen-2-yl-2-[(2E)-2-[(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexylidene]hydrazinyl]-4-phenylpyridine-3-carbonitrile?
The InChIKey is UQLBDVSHBBYVOP-LPCTTWCHSA-N. The full InChI is InChI=1S/C28H26N4O5/c29-14-22-21(18-7-2-1-3-8-18)13-23(20-11-10-17-6-4-5-9-19(17)12-20)31-28(22)32-30-15-24(34)26(36)27(37)25(35)16-33/h1-13,15,24-27,33-37H,16H2,(H,31,32)/b30-15+/t24-,25-,26+,27+/m1/s1.
What are the key properties of 6-naphthalen-2-yl-2-[(2E)-2-[(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexylidene]hydrazinyl]-4-phenylpyridine-3-carbonitrile?
6-naphthalen-2-yl-2-[(2E)-2-[(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexylidene]hydrazinyl]-4-phenylpyridine-3-carbonitrile has a molecular weight of 498.54 g/mol, XLogP of 2.27, 9 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-naphthalen-2-yl-2-[(2E)-2-[(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexylidene]hydrazinyl]-4-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 72694814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).