4-amino-N'-(2-cyclohexyl-1-oxo-3H-isoindol-5-yl)-2-oxo-1H-pyridine-3-carboximidamide

C20H23N5O2 — CID 137282034

IUPAC4-amino-N'-(2-cyclohexyl-1-oxo-3H-isoindol-5-yl)-2-oxo-1H-pyridine-3-carboximidamide
SMILESN/C(=N\c1ccc2c(c1)CN(C1CCCCC1)C2=O)c1c(N)cc[nH]c1=O
InChIInChI=1S/C20H23N5O2/c21-16-8-9-23-19(26)17(16)18(22)24-13-6-7-15-12(10-13)11-25(20(15)27)14-4-2-1-3-5-14/h6-10,14H,1-5,11H2,(H2,22,24)(H3,21,23,26)
InChIKeyQSJJYASWKWSOQM-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.28
Rot. Bonds3

About 4-amino-N'-(2-cyclohexyl-1-oxo-3H-isoindol-5-yl)-2-oxo-1H-pyridine-3-carboximidamide

4-amino-N'-(2-cyclohexyl-1-oxo-3H-isoindol-5-yl)-2-oxo-1H-pyridine-3-carboximidamide (PubChem CID 137282034) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 4-amino-N'-(2-cyclohexyl-1-oxo-3H-isoindol-5-yl)-2-oxo-1H-pyridine-3-carboximidamide.

Molecular Properties

Compound Name4-amino-N'-(2-cyclohexyl-1-oxo-3H-isoindol-5-yl)-2-oxo-1H-pyridine-3-carboximidamide
PubChem CID137282034
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name4-amino-N'-(2-cyclohexyl-1-oxo-3H-isoindol-5-yl)-2-oxo-1H-pyridine-3-carboximidamide
SMILESN/C(=N\c1ccc2c(c1)CN(C1CCCCC1)C2=O)c1c(N)cc[nH]c1=O
InChIInChI=1S/C20H23N5O2/c21-16-8-9-23-19(26)17(16)18(22)24-13-6-7-15-12(10-13)11-25(20(15)27)14-4-2-1-3-5-14/h6-10,14H,1-5,11H2,(H2,22,24)(H3,21,23,26)
InChIKeyQSJJYASWKWSOQM-UHFFFAOYSA-N
XLogP2.28
TPSA117.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 4-amino-N'-(2-cyclohexyl-1-oxo-3H-isoindol-5-yl)-2-oxo-1H-pyridine-3-carboximidamide with MolForge

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Related Compounds

5-Amino-2-cyclohexylisoindole-1,3-dione
CID 804459
12-oxo-N-(pyrrolidin-2-ylmethyl)-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide
CID 162763983
N-(2-cyclohexyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)acetamide
CID 1262881
N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)propanamide
CID 2227998
N-[2-(1-methylpyrrolidin-2-yl)ethyl]-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide
CID 90644347
2,3-dimethyl-11-oxo-N-(2-pyrrolidin-1-ylethyl)pyrido[2,1-b]quinazoline-6-carboxamide
CID 162763902
9-oxo-N-(2-pyrrolidin-1-ylethyl)-2,8-diazatetracyclo[8.8.0.03,8.012,17]octadeca-1(10),2,4,6,11,17-hexaene-4-carboxamide
CID 162763908
N-[4-(methylcarbamoyl)phenyl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
CID 25163626
18-oxo-N-(2-pyrrolidin-1-ylethyl)-11,17-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,11,13,15-octaene-13-carboxamide
CID 166631691
N-(12-oxo-10H-isoindolo[1,2-b]quinazolin-8-yl)butanamide
CID 356024
N-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-phenylpropanamide
CID 2233887
3-[(Z)-1-amino-2-[(2-methyl-1-oxo-3H-isoindol-5-yl)amino]ethenyl]-6-fluoro-1H-quinolin-2-one
CID 130244842

Frequently Asked Questions

What is the IUPAC name of 4-amino-N'-(2-cyclohexyl-1-oxo-3H-isoindol-5-yl)-2-oxo-1H-pyridine-3-carboximidamide?
The IUPAC name of 4-amino-N'-(2-cyclohexyl-1-oxo-3H-isoindol-5-yl)-2-oxo-1H-pyridine-3-carboximidamide (CID 137282034) is 4-amino-N'-(2-cyclohexyl-1-oxo-3H-isoindol-5-yl)-2-oxo-1H-pyridine-3-carboximidamide.
What is the SMILES notation for 4-amino-N'-(2-cyclohexyl-1-oxo-3H-isoindol-5-yl)-2-oxo-1H-pyridine-3-carboximidamide?
The canonical SMILES for 4-amino-N'-(2-cyclohexyl-1-oxo-3H-isoindol-5-yl)-2-oxo-1H-pyridine-3-carboximidamide is N/C(=N\c1ccc2c(c1)CN(C1CCCCC1)C2=O)c1c(N)cc[nH]c1=O.
What is the InChIKey of 4-amino-N'-(2-cyclohexyl-1-oxo-3H-isoindol-5-yl)-2-oxo-1H-pyridine-3-carboximidamide?
The InChIKey is QSJJYASWKWSOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c21-16-8-9-23-19(26)17(16)18(22)24-13-6-7-15-12(10-13)11-25(20(15)27)14-4-2-1-3-5-14/h6-10,14H,1-5,11H2,(H2,22,24)(H3,21,23,26).
What are the key properties of 4-amino-N'-(2-cyclohexyl-1-oxo-3H-isoindol-5-yl)-2-oxo-1H-pyridine-3-carboximidamide?
4-amino-N'-(2-cyclohexyl-1-oxo-3H-isoindol-5-yl)-2-oxo-1H-pyridine-3-carboximidamide has a molecular weight of 365.44 g/mol, XLogP of 2.28, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N'-(2-cyclohexyl-1-oxo-3H-isoindol-5-yl)-2-oxo-1H-pyridine-3-carboximidamide is sourced from PubChem (CID 137282034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).