N-[(E)-C-aminocarbonohydrazonoyl]-2-[[3-cyano-4-(4H-pyran-3-yl)-6-thiophen-2-yl-2-pyridinyl]oxy]-2-phenylacetamide

C24H20N6O3S — CID 143568425

IUPACN-[(E)-C-aminocarbonohydrazonoyl]-2-[[3-cyano-4-(4H-pyran-3-yl)-6-thiophen-2-yl-2-pyridinyl]oxy]-2-phenylacetamide
SMILESN#Cc1c(C2=COC=CC2)cc(-c2cccs2)nc1OC(C(=O)N/C(N)=N/N)c1ccccc1
InChIInChI=1S/C24H20N6O3S/c25-13-18-17(16-8-4-10-32-14-16)12-19(20-9-5-11-34-20)28-23(18)33-21(15-6-2-1-3-7-15)22(31)29-24(26)30-27/h1-7,9-12,14,21H,8,27H2,(H3,26,29,30,31)
InChIKeyUUAUZHNFZLEIBW-UHFFFAOYSA-N
MW472.53 g/mol
LogP3.38
Rot. Bonds6

About N-[(E)-C-aminocarbonohydrazonoyl]-2-[[3-cyano-4-(4H-pyran-3-yl)-6-thiophen-2-yl-2-pyridinyl]oxy]-2-phenylacetamide

N-[(E)-C-aminocarbonohydrazonoyl]-2-[[3-cyano-4-(4H-pyran-3-yl)-6-thiophen-2-yl-2-pyridinyl]oxy]-2-phenylacetamide (PubChem CID 143568425) has the molecular formula C24H20N6O3S and a molecular weight of 472.53 g/mol. Its IUPAC name is N-[(E)-C-aminocarbonohydrazonoyl]-2-[[3-cyano-4-(4H-pyran-3-yl)-6-thiophen-2-yl-2-pyridinyl]oxy]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(E)-C-aminocarbonohydrazonoyl]-2-[[3-cyano-4-(4H-pyran-3-yl)-6-thiophen-2-yl-2-pyridinyl]oxy]-2-phenylacetamide
PubChem CID143568425
Molecular FormulaC24H20N6O3S
Molecular Weight472.53 g/mol
Exact Mass472.13
IUPAC NameN-[(E)-C-aminocarbonohydrazonoyl]-2-[[3-cyano-4-(4H-pyran-3-yl)-6-thiophen-2-yl-2-pyridinyl]oxy]-2-phenylacetamide
SMILESN#Cc1c(C2=COC=CC2)cc(-c2cccs2)nc1OC(C(=O)N/C(N)=N/N)c1ccccc1
InChIInChI=1S/C24H20N6O3S/c25-13-18-17(16-8-4-10-32-14-16)12-19(20-9-5-11-34-20)28-23(18)33-21(15-6-2-1-3-7-15)22(31)29-24(26)30-27/h1-7,9-12,14,21H,8,27H2,(H3,26,29,30,31)
InChIKeyUUAUZHNFZLEIBW-UHFFFAOYSA-N
XLogP3.38
TPSA148.64 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.53
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(3-cyano-4,6-dithiophen-2-yl-2-pyridinyl)oxy]-N'-hydrazinyl-2-phenylethanimidamide
CID 143568436
ethyl 2-[(3-cyano-4-phenyl-6-thiophen-2-yl-2-pyridinyl)oxy]-2-phenylacetate
CID 143568553
prop-2-enyl 2-[(3-cyano-4-propan-2-yl-6-thiophen-2-yl-2-pyridinyl)oxy]-2-phenylacetate
CID 89320059
prop-2-enyl 2-[[4-[5-(4-bromophenyl)furan-2-yl]-3-cyano-6-thiophen-2-yl-2-pyridinyl]oxy]-2-phenylacetate
CID 143568593
2-[(3-amino-4,6-dithiophen-2-yl-2-pyridinyl)oxy]-2-phenylacetic acid
CID 71157282
2-[[3-amino-4-(5-phenylfuran-2-yl)-6-thiophen-2-yl-2-pyridinyl]oxy]-2-phenylacetic acid
CID 71157126
2-(2-hydroxy-1-phenylethoxy)-4-propan-2-yl-6-thiophen-2-ylpyridine-3-carbonitrile
CID 143568515
2-[[3-amino-4-(furan-3-yl)-6-thiophen-2-yl-2-pyridinyl]oxy]-N-(2,3-dihydro-1H-tetrazol-5-yl)-2-phenylacetamide
CID 71159727
2-methylsulfinyl-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile
CID 893739
2-[[3-cyano-4-(4-methylphenyl)-6-thiophen-2-yl-2-pyridinyl]sulfanyl]-N-hydroxy-2-phenylacetamide
CID 123877346
4-[4-(3-cyano-2-methoxy-6-thiophen-2-yl-4-pyridinyl)phenyl]-2-methoxy-6-thiophen-2-ylpyridine-3-carbonitrile
CID 14950544
2-[[3-cyano-4-(4-methoxyphenyl)-6-thiophen-2-yl-2-pyridinyl]sulfanyl]-2-phenylacetic acid
CID 2962037

Frequently Asked Questions

What is the IUPAC name of N-[(E)-C-aminocarbonohydrazonoyl]-2-[[3-cyano-4-(4H-pyran-3-yl)-6-thiophen-2-yl-2-pyridinyl]oxy]-2-phenylacetamide?
The IUPAC name of N-[(E)-C-aminocarbonohydrazonoyl]-2-[[3-cyano-4-(4H-pyran-3-yl)-6-thiophen-2-yl-2-pyridinyl]oxy]-2-phenylacetamide (CID 143568425) is N-[(E)-C-aminocarbonohydrazonoyl]-2-[[3-cyano-4-(4H-pyran-3-yl)-6-thiophen-2-yl-2-pyridinyl]oxy]-2-phenylacetamide.
What is the SMILES notation for N-[(E)-C-aminocarbonohydrazonoyl]-2-[[3-cyano-4-(4H-pyran-3-yl)-6-thiophen-2-yl-2-pyridinyl]oxy]-2-phenylacetamide?
The canonical SMILES for N-[(E)-C-aminocarbonohydrazonoyl]-2-[[3-cyano-4-(4H-pyran-3-yl)-6-thiophen-2-yl-2-pyridinyl]oxy]-2-phenylacetamide is N#Cc1c(C2=COC=CC2)cc(-c2cccs2)nc1OC(C(=O)N/C(N)=N/N)c1ccccc1.
What is the InChIKey of N-[(E)-C-aminocarbonohydrazonoyl]-2-[[3-cyano-4-(4H-pyran-3-yl)-6-thiophen-2-yl-2-pyridinyl]oxy]-2-phenylacetamide?
The InChIKey is UUAUZHNFZLEIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O3S/c25-13-18-17(16-8-4-10-32-14-16)12-19(20-9-5-11-34-20)28-23(18)33-21(15-6-2-1-3-7-15)22(31)29-24(26)30-27/h1-7,9-12,14,21H,8,27H2,(H3,26,29,30,31).
What are the key properties of N-[(E)-C-aminocarbonohydrazonoyl]-2-[[3-cyano-4-(4H-pyran-3-yl)-6-thiophen-2-yl-2-pyridinyl]oxy]-2-phenylacetamide?
N-[(E)-C-aminocarbonohydrazonoyl]-2-[[3-cyano-4-(4H-pyran-3-yl)-6-thiophen-2-yl-2-pyridinyl]oxy]-2-phenylacetamide has a molecular weight of 472.53 g/mol, XLogP of 3.38, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-C-aminocarbonohydrazonoyl]-2-[[3-cyano-4-(4H-pyran-3-yl)-6-thiophen-2-yl-2-pyridinyl]oxy]-2-phenylacetamide is sourced from PubChem (CID 143568425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).