4-(methoxymethyl)-6-methyl-2-[(2E)-2-[[1-(naphthalen-2-ylmethyl)indol-3-yl]methylidene]hydrazinyl]pyridine-3-carbonitrile

C29H25N5O — CID 126222068

IUPAC4-(methoxymethyl)-6-methyl-2-[(2E)-2-[[1-(naphthalen-2-ylmethyl)indol-3-yl]methylidene]hydrazinyl]pyridine-3-carbonitrile
SMILESCOCc1cc(C)nc(N/N=C/c2cn(Cc3ccc4ccccc4c3)c3ccccc23)c1C#N
InChIInChI=1S/C29H25N5O/c1-20-13-24(19-35-2)27(15-30)29(32-20)33-31-16-25-18-34(28-10-6-5-9-26(25)28)17-21-11-12-22-7-3-4-8-23(22)14-21/h3-14,16,18H,17,19H2,1-2H3,(H,32,33)/b31-16+
InChIKeyBUBWTFQBVKGFPB-WCMJOSRZSA-N
MW459.55 g/mol
LogP6.01
Rot. Bonds7

About 4-(methoxymethyl)-6-methyl-2-[(2E)-2-[[1-(naphthalen-2-ylmethyl)indol-3-yl]methylidene]hydrazinyl]pyridine-3-carbonitrile

4-(methoxymethyl)-6-methyl-2-[(2E)-2-[[1-(naphthalen-2-ylmethyl)indol-3-yl]methylidene]hydrazinyl]pyridine-3-carbonitrile (PubChem CID 126222068) has the molecular formula C29H25N5O and a molecular weight of 459.55 g/mol. Its IUPAC name is 4-(methoxymethyl)-6-methyl-2-[(2E)-2-[[1-(naphthalen-2-ylmethyl)indol-3-yl]methylidene]hydrazinyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(methoxymethyl)-6-methyl-2-[(2E)-2-[[1-(naphthalen-2-ylmethyl)indol-3-yl]methylidene]hydrazinyl]pyridine-3-carbonitrile
PubChem CID126222068
Molecular FormulaC29H25N5O
Molecular Weight459.55 g/mol
Exact Mass459.21
IUPAC Name4-(methoxymethyl)-6-methyl-2-[(2E)-2-[[1-(naphthalen-2-ylmethyl)indol-3-yl]methylidene]hydrazinyl]pyridine-3-carbonitrile
SMILESCOCc1cc(C)nc(N/N=C/c2cn(Cc3ccc4ccccc4c3)c3ccccc23)c1C#N
InChIInChI=1S/C29H25N5O/c1-20-13-24(19-35-2)27(15-30)29(32-20)33-31-16-25-18-34(28-10-6-5-9-26(25)28)17-21-11-12-22-7-3-4-8-23(22)14-21/h3-14,16,18H,17,19H2,1-2H3,(H,32,33)/b31-16+
InChIKeyBUBWTFQBVKGFPB-WCMJOSRZSA-N
XLogP6.01
TPSA75.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.55
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-6-methyl-2-[(2E)-2-[[1-(naphthalen-2-ylmethyl)indol-3-yl]methylidene]hydrazinyl]pyridine-3-carbonitrile?
The IUPAC name of 4-(methoxymethyl)-6-methyl-2-[(2E)-2-[[1-(naphthalen-2-ylmethyl)indol-3-yl]methylidene]hydrazinyl]pyridine-3-carbonitrile (CID 126222068) is 4-(methoxymethyl)-6-methyl-2-[(2E)-2-[[1-(naphthalen-2-ylmethyl)indol-3-yl]methylidene]hydrazinyl]pyridine-3-carbonitrile.
What is the SMILES notation for 4-(methoxymethyl)-6-methyl-2-[(2E)-2-[[1-(naphthalen-2-ylmethyl)indol-3-yl]methylidene]hydrazinyl]pyridine-3-carbonitrile?
The canonical SMILES for 4-(methoxymethyl)-6-methyl-2-[(2E)-2-[[1-(naphthalen-2-ylmethyl)indol-3-yl]methylidene]hydrazinyl]pyridine-3-carbonitrile is COCc1cc(C)nc(N/N=C/c2cn(Cc3ccc4ccccc4c3)c3ccccc23)c1C#N.
What is the InChIKey of 4-(methoxymethyl)-6-methyl-2-[(2E)-2-[[1-(naphthalen-2-ylmethyl)indol-3-yl]methylidene]hydrazinyl]pyridine-3-carbonitrile?
The InChIKey is BUBWTFQBVKGFPB-WCMJOSRZSA-N. The full InChI is InChI=1S/C29H25N5O/c1-20-13-24(19-35-2)27(15-30)29(32-20)33-31-16-25-18-34(28-10-6-5-9-26(25)28)17-21-11-12-22-7-3-4-8-23(22)14-21/h3-14,16,18H,17,19H2,1-2H3,(H,32,33)/b31-16+.
What are the key properties of 4-(methoxymethyl)-6-methyl-2-[(2E)-2-[[1-(naphthalen-2-ylmethyl)indol-3-yl]methylidene]hydrazinyl]pyridine-3-carbonitrile?
4-(methoxymethyl)-6-methyl-2-[(2E)-2-[[1-(naphthalen-2-ylmethyl)indol-3-yl]methylidene]hydrazinyl]pyridine-3-carbonitrile has a molecular weight of 459.55 g/mol, XLogP of 6.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-6-methyl-2-[(2E)-2-[[1-(naphthalen-2-ylmethyl)indol-3-yl]methylidene]hydrazinyl]pyridine-3-carbonitrile is sourced from PubChem (CID 126222068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).