4-(5-ethylthiophen-2-yl)-N'-hydrazinyl-2-oxo-6-[4-(4-propylcyclohexyl)phenyl]-1H-pyridine-3-carboximidamide

C27H35N5OS — CID 137279837

IUPAC4-(5-ethylthiophen-2-yl)-N'-hydrazinyl-2-oxo-6-[4-(4-propylcyclohexyl)phenyl]-1H-pyridine-3-carboximidamide
SMILESCCCC1CCC(c2ccc(-c3cc(-c4ccc(CC)s4)c(/C(N)=N/NN)c(=O)[nH]3)cc2)CC1
InChIInChI=1S/C27H35N5OS/c1-3-5-17-6-8-18(9-7-17)19-10-12-20(13-11-19)23-16-22(24-15-14-21(4-2)34-24)25(27(33)30-23)26(28)31-32-29/h10-18,32H,3-9,29H2,1-2H3,(H2,28,31)(H,30,33)
InChIKeySFOJMQCVKSEFHX-UHFFFAOYSA-N
MW477.68 g/mol
LogP5.49
Rot. Bonds8

About 4-(5-ethylthiophen-2-yl)-N'-hydrazinyl-2-oxo-6-[4-(4-propylcyclohexyl)phenyl]-1H-pyridine-3-carboximidamide

4-(5-ethylthiophen-2-yl)-N'-hydrazinyl-2-oxo-6-[4-(4-propylcyclohexyl)phenyl]-1H-pyridine-3-carboximidamide (PubChem CID 137279837) has the molecular formula C27H35N5OS and a molecular weight of 477.68 g/mol. Its IUPAC name is 4-(5-ethylthiophen-2-yl)-N'-hydrazinyl-2-oxo-6-[4-(4-propylcyclohexyl)phenyl]-1H-pyridine-3-carboximidamide.

Molecular Properties

Compound Name4-(5-ethylthiophen-2-yl)-N'-hydrazinyl-2-oxo-6-[4-(4-propylcyclohexyl)phenyl]-1H-pyridine-3-carboximidamide
PubChem CID137279837
Molecular FormulaC27H35N5OS
Molecular Weight477.68 g/mol
Exact Mass477.26
IUPAC Name4-(5-ethylthiophen-2-yl)-N'-hydrazinyl-2-oxo-6-[4-(4-propylcyclohexyl)phenyl]-1H-pyridine-3-carboximidamide
SMILESCCCC1CCC(c2ccc(-c3cc(-c4ccc(CC)s4)c(/C(N)=N/NN)c(=O)[nH]3)cc2)CC1
InChIInChI=1S/C27H35N5OS/c1-3-5-17-6-8-18(9-7-17)19-10-12-20(13-11-19)23-16-22(24-15-14-21(4-2)34-24)25(27(33)30-23)26(28)31-32-29/h10-18,32H,3-9,29H2,1-2H3,(H2,28,31)(H,30,33)
InChIKeySFOJMQCVKSEFHX-UHFFFAOYSA-N
XLogP5.49
TPSA109.29 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.68
LogP ≤ 55.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

6-[4-(2-cyclopropylethyl)phenyl]-4-(5-ethylthiophen-2-yl)-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one
CID 137179169
4-(5-ethylthiophen-2-yl)-6-[4-(4-propylcyclohexyl)phenyl]-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one
CID 137179174
6-[4-(4,4-dimethylcyclohexyl)phenyl]-4-(5-ethylthiophen-2-yl)-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one
CID 137179191
4-(5-ethylthiophen-2-yl)-6-[4-(4-propylcyclohexen-1-yl)phenyl]-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one
CID 137179194
6-[4-(4-tert-butylcyclohexen-1-yl)phenyl]-4-(5-ethylthiophen-2-yl)-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one
CID 137179242
6-[4-(4,4-dimethylcyclohexen-1-yl)phenyl]-4-(5-ethylthiophen-2-yl)-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one
CID 137226617
6-[4-(4,4-dimethylcyclohexen-1-yl)phenyl]-4-(5-ethylthiophen-2-yl)-N'-hydrazinyl-2-oxo-1H-pyridine-3-carboximidamide
CID 137279806
N'-amino-6-[4-(4-tert-butylcyclohexen-1-yl)phenyl]-4-(5-ethylthiophen-2-yl)-2-oxo-1H-pyridine-3-carboximidamide
CID 137279830
6-[4-[(E)-2-cyclopropylethenyl]phenyl]-4-(5-ethylthiophen-2-yl)-N'-hydrazinyl-2-oxo-1H-pyridine-3-carboximidamide
CID 137279839
N'-amino-6-[4-(2-cyclopropylethyl)phenyl]-4-(5-ethylthiophen-2-yl)-2-oxo-1H-pyridine-3-carboximidamide
CID 137279853
6-[4-(4,4-dimethylcyclohexyl)phenyl]-4-(5-ethylthiophen-2-yl)-N'-hydrazinyl-2-oxo-1H-pyridine-3-carboximidamide
CID 137279864
4-(5-ethylthiophen-2-yl)-N'-hydrazinyl-2-oxo-6-[4-(4-propylcyclohexen-1-yl)phenyl]-1H-pyridine-3-carboximidamide
CID 137279879

Frequently Asked Questions

What is the IUPAC name of 4-(5-ethylthiophen-2-yl)-N'-hydrazinyl-2-oxo-6-[4-(4-propylcyclohexyl)phenyl]-1H-pyridine-3-carboximidamide?
The IUPAC name of 4-(5-ethylthiophen-2-yl)-N'-hydrazinyl-2-oxo-6-[4-(4-propylcyclohexyl)phenyl]-1H-pyridine-3-carboximidamide (CID 137279837) is 4-(5-ethylthiophen-2-yl)-N'-hydrazinyl-2-oxo-6-[4-(4-propylcyclohexyl)phenyl]-1H-pyridine-3-carboximidamide.
What is the SMILES notation for 4-(5-ethylthiophen-2-yl)-N'-hydrazinyl-2-oxo-6-[4-(4-propylcyclohexyl)phenyl]-1H-pyridine-3-carboximidamide?
The canonical SMILES for 4-(5-ethylthiophen-2-yl)-N'-hydrazinyl-2-oxo-6-[4-(4-propylcyclohexyl)phenyl]-1H-pyridine-3-carboximidamide is CCCC1CCC(c2ccc(-c3cc(-c4ccc(CC)s4)c(/C(N)=N/NN)c(=O)[nH]3)cc2)CC1.
What is the InChIKey of 4-(5-ethylthiophen-2-yl)-N'-hydrazinyl-2-oxo-6-[4-(4-propylcyclohexyl)phenyl]-1H-pyridine-3-carboximidamide?
The InChIKey is SFOJMQCVKSEFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N5OS/c1-3-5-17-6-8-18(9-7-17)19-10-12-20(13-11-19)23-16-22(24-15-14-21(4-2)34-24)25(27(33)30-23)26(28)31-32-29/h10-18,32H,3-9,29H2,1-2H3,(H2,28,31)(H,30,33).
What are the key properties of 4-(5-ethylthiophen-2-yl)-N'-hydrazinyl-2-oxo-6-[4-(4-propylcyclohexyl)phenyl]-1H-pyridine-3-carboximidamide?
4-(5-ethylthiophen-2-yl)-N'-hydrazinyl-2-oxo-6-[4-(4-propylcyclohexyl)phenyl]-1H-pyridine-3-carboximidamide has a molecular weight of 477.68 g/mol, XLogP of 5.49, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethylthiophen-2-yl)-N'-hydrazinyl-2-oxo-6-[4-(4-propylcyclohexyl)phenyl]-1H-pyridine-3-carboximidamide is sourced from PubChem (CID 137279837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).