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

C23H26N4OS — CID 137279853

IUPACN'-amino-6-[4-(2-cyclopropylethyl)phenyl]-4-(5-ethylthiophen-2-yl)-2-oxo-1H-pyridine-3-carboximidamide
SMILESCCc1ccc(-c2cc(-c3ccc(CCC4CC4)cc3)[nH]c(=O)c2/C(N)=N/N)s1
InChIInChI=1S/C23H26N4OS/c1-2-17-11-12-20(29-17)18-13-19(26-23(28)21(18)22(24)27-25)16-9-7-15(8-10-16)6-5-14-3-4-14/h7-14H,2-6,25H2,1H3,(H2,24,27)(H,26,28)
InChIKeyOPUCBXVOFJYPEZ-UHFFFAOYSA-N
MW406.56 g/mol
LogP4.25
Rot. Bonds7

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

N'-amino-6-[4-(2-cyclopropylethyl)phenyl]-4-(5-ethylthiophen-2-yl)-2-oxo-1H-pyridine-3-carboximidamide (PubChem CID 137279853) has the molecular formula C23H26N4OS and a molecular weight of 406.56 g/mol. Its IUPAC name is N'-amino-6-[4-(2-cyclopropylethyl)phenyl]-4-(5-ethylthiophen-2-yl)-2-oxo-1H-pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-amino-6-[4-(2-cyclopropylethyl)phenyl]-4-(5-ethylthiophen-2-yl)-2-oxo-1H-pyridine-3-carboximidamide
PubChem CID137279853
Molecular FormulaC23H26N4OS
Molecular Weight406.56 g/mol
Exact Mass406.18
IUPAC NameN'-amino-6-[4-(2-cyclopropylethyl)phenyl]-4-(5-ethylthiophen-2-yl)-2-oxo-1H-pyridine-3-carboximidamide
SMILESCCc1ccc(-c2cc(-c3ccc(CCC4CC4)cc3)[nH]c(=O)c2/C(N)=N/N)s1
InChIInChI=1S/C23H26N4OS/c1-2-17-11-12-20(29-17)18-13-19(26-23(28)21(18)22(24)27-25)16-9-7-15(8-10-16)6-5-14-3-4-14/h7-14H,2-6,25H2,1H3,(H2,24,27)(H,26,28)
InChIKeyOPUCBXVOFJYPEZ-UHFFFAOYSA-N
XLogP4.25
TPSA97.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.56
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[(E)-2-cyclopropylethenyl]phenyl]-4-(5-ethylthiophen-2-yl)-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one
CID 137179197
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
4-(5-ethylthiophen-2-yl)-N'-hydrazinyl-2-oxo-6-[4-(4-propylcyclohexyl)phenyl]-1H-pyridine-3-carboximidamide
CID 137279837
6-[4-[(E)-2-cyclopropylethenyl]phenyl]-4-(5-ethylthiophen-2-yl)-N'-hydrazinyl-2-oxo-1H-pyridine-3-carboximidamide
CID 137279839
6-[4-(4,4-dimethylcyclohexyl)phenyl]-4-(5-ethylthiophen-2-yl)-N'-hydrazinyl-2-oxo-1H-pyridine-3-carboximidamide
CID 137279864

Frequently Asked Questions

What is the IUPAC name of N'-amino-6-[4-(2-cyclopropylethyl)phenyl]-4-(5-ethylthiophen-2-yl)-2-oxo-1H-pyridine-3-carboximidamide?
The IUPAC name of N'-amino-6-[4-(2-cyclopropylethyl)phenyl]-4-(5-ethylthiophen-2-yl)-2-oxo-1H-pyridine-3-carboximidamide (CID 137279853) is N'-amino-6-[4-(2-cyclopropylethyl)phenyl]-4-(5-ethylthiophen-2-yl)-2-oxo-1H-pyridine-3-carboximidamide.
What is the SMILES notation for N'-amino-6-[4-(2-cyclopropylethyl)phenyl]-4-(5-ethylthiophen-2-yl)-2-oxo-1H-pyridine-3-carboximidamide?
The canonical SMILES for N'-amino-6-[4-(2-cyclopropylethyl)phenyl]-4-(5-ethylthiophen-2-yl)-2-oxo-1H-pyridine-3-carboximidamide is CCc1ccc(-c2cc(-c3ccc(CCC4CC4)cc3)[nH]c(=O)c2/C(N)=N/N)s1.
What is the InChIKey of N'-amino-6-[4-(2-cyclopropylethyl)phenyl]-4-(5-ethylthiophen-2-yl)-2-oxo-1H-pyridine-3-carboximidamide?
The InChIKey is OPUCBXVOFJYPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4OS/c1-2-17-11-12-20(29-17)18-13-19(26-23(28)21(18)22(24)27-25)16-9-7-15(8-10-16)6-5-14-3-4-14/h7-14H,2-6,25H2,1H3,(H2,24,27)(H,26,28).
What are the key properties of N'-amino-6-[4-(2-cyclopropylethyl)phenyl]-4-(5-ethylthiophen-2-yl)-2-oxo-1H-pyridine-3-carboximidamide?
N'-amino-6-[4-(2-cyclopropylethyl)phenyl]-4-(5-ethylthiophen-2-yl)-2-oxo-1H-pyridine-3-carboximidamide has a molecular weight of 406.56 g/mol, XLogP of 4.25, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-6-[4-(2-cyclopropylethyl)phenyl]-4-(5-ethylthiophen-2-yl)-2-oxo-1H-pyridine-3-carboximidamide is sourced from PubChem (CID 137279853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).