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

C25H31N5O2 — CID 137282062

IUPAC4-(cyclohexylamino)-N'-(2-cyclopentyl-1-oxo-3H-isoindol-5-yl)-2-oxo-1H-pyridine-3-carboximidamide
SMILESN/C(=N\c1ccc2c(c1)CN(C1CCCC1)C2=O)c1c(NC2CCCCC2)cc[nH]c1=O
InChIInChI=1S/C25H31N5O2/c26-23(22-21(12-13-27-24(22)31)28-17-6-2-1-3-7-17)29-18-10-11-20-16(14-18)15-30(25(20)32)19-8-4-5-9-19/h10-14,17,19H,1-9,15H2,(H2,26,29)(H2,27,28,31)
InChIKeyTUQQKSDBQHONEY-UHFFFAOYSA-N
MW433.56 g/mol
LogP4.05
Rot. Bonds5

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

4-(cyclohexylamino)-N'-(2-cyclopentyl-1-oxo-3H-isoindol-5-yl)-2-oxo-1H-pyridine-3-carboximidamide (PubChem CID 137282062) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is 4-(cyclohexylamino)-N'-(2-cyclopentyl-1-oxo-3H-isoindol-5-yl)-2-oxo-1H-pyridine-3-carboximidamide.

Molecular Properties

Compound Name4-(cyclohexylamino)-N'-(2-cyclopentyl-1-oxo-3H-isoindol-5-yl)-2-oxo-1H-pyridine-3-carboximidamide
PubChem CID137282062
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC Name4-(cyclohexylamino)-N'-(2-cyclopentyl-1-oxo-3H-isoindol-5-yl)-2-oxo-1H-pyridine-3-carboximidamide
SMILESN/C(=N\c1ccc2c(c1)CN(C1CCCC1)C2=O)c1c(NC2CCCCC2)cc[nH]c1=O
InChIInChI=1S/C25H31N5O2/c26-23(22-21(12-13-27-24(22)31)28-17-6-2-1-3-7-17)29-18-10-11-20-16(14-18)15-30(25(20)32)19-8-4-5-9-19/h10-14,17,19H,1-9,15H2,(H2,26,29)(H2,27,28,31)
InChIKeyTUQQKSDBQHONEY-UHFFFAOYSA-N
XLogP4.05
TPSA103.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 54.05
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'}

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Related Compounds

5-Amino-2-cyclohexylisoindole-1,3-dione
CID 804459
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
4-(cyclohexylamino)-2-oxo-N'-[2-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-5-yl]-1H-pyridine-3-carboximidamide
CID 137028701
4-(cyclopentylamino)-2-oxo-N'-[1-oxo-2-(2,2,2-trifluoroethyl)-3H-isoindol-5-yl]-1H-pyridine-3-carboximidamide
CID 137031108
4-[[(1S,2S)-4,4-difluoro-2-(methylideneamino)cyclopentyl]amino]-N'-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide
CID 137282181
tert-butyl 4-(cyanomethyl)-4-[[2-oxo-3-[N'-[1-oxo-2-(2,2,2-trifluoroethyl)-3H-isoindol-5-yl]carbamimidoyl]-1H-pyridin-4-yl]amino]piperidine-1-carboxylate
CID 137288602
4-amino-2-oxo-N'-[1-oxo-2-(2,2,2-trifluoroethyl)-3H-isoindol-5-yl]-1H-pyridine-3-carboximidamide
CID 137288628
4-(cyclohexylamino)-2-oxo-N'-[2-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-5-yl]-1H-pyridine-3-carboximidamide;ethene;formonitrile
CID 144712775
4-[[(1S,2S)-4,4-difluoro-2-(methylideneamino)cyclopentyl]amino]-N'-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide;ethane
CID 144713020
4-[[(1S,2R)-2-cyano-4,4-difluorocyclopentyl]amino]-N'-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide
CID 144713207
4-[[4-(cyanomethyl)-1-prop-1-en-2-ylpiperidin-4-yl]amino]-2-oxo-N'-[1-oxo-2-(2,2,2-trifluoroethyl)-3H-isoindol-5-yl]-1H-pyridine-3-carboximidamide;ethane;propane
CID 144713336
4-[(1,4-diethylpiperidin-4-yl)amino]-N'-[2-(4,4-difluoro-1-methylcyclohexyl)-1-oxo-3H-isoindol-5-yl]-2-oxo-1H-pyridine-3-carboximidamide
CID 145065603

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylamino)-N'-(2-cyclopentyl-1-oxo-3H-isoindol-5-yl)-2-oxo-1H-pyridine-3-carboximidamide?
The IUPAC name of 4-(cyclohexylamino)-N'-(2-cyclopentyl-1-oxo-3H-isoindol-5-yl)-2-oxo-1H-pyridine-3-carboximidamide (CID 137282062) is 4-(cyclohexylamino)-N'-(2-cyclopentyl-1-oxo-3H-isoindol-5-yl)-2-oxo-1H-pyridine-3-carboximidamide.
What is the SMILES notation for 4-(cyclohexylamino)-N'-(2-cyclopentyl-1-oxo-3H-isoindol-5-yl)-2-oxo-1H-pyridine-3-carboximidamide?
The canonical SMILES for 4-(cyclohexylamino)-N'-(2-cyclopentyl-1-oxo-3H-isoindol-5-yl)-2-oxo-1H-pyridine-3-carboximidamide is N/C(=N\c1ccc2c(c1)CN(C1CCCC1)C2=O)c1c(NC2CCCCC2)cc[nH]c1=O.
What is the InChIKey of 4-(cyclohexylamino)-N'-(2-cyclopentyl-1-oxo-3H-isoindol-5-yl)-2-oxo-1H-pyridine-3-carboximidamide?
The InChIKey is TUQQKSDBQHONEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2/c26-23(22-21(12-13-27-24(22)31)28-17-6-2-1-3-7-17)29-18-10-11-20-16(14-18)15-30(25(20)32)19-8-4-5-9-19/h10-14,17,19H,1-9,15H2,(H2,26,29)(H2,27,28,31).
What are the key properties of 4-(cyclohexylamino)-N'-(2-cyclopentyl-1-oxo-3H-isoindol-5-yl)-2-oxo-1H-pyridine-3-carboximidamide?
4-(cyclohexylamino)-N'-(2-cyclopentyl-1-oxo-3H-isoindol-5-yl)-2-oxo-1H-pyridine-3-carboximidamide has a molecular weight of 433.56 g/mol, XLogP of 4.05, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylamino)-N'-(2-cyclopentyl-1-oxo-3H-isoindol-5-yl)-2-oxo-1H-pyridine-3-carboximidamide is sourced from PubChem (CID 137282062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).