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

C24H31N5O2 — CID 137281947

IUPACN'-(2-tert-butyl-1-oxo-3H-isoindol-5-yl)-4-(cyclohexylamino)-2-oxo-1H-pyridine-3-carboximidamide
SMILESCC(C)(C)N1Cc2cc(/N=C(\N)c3c(NC4CCCCC4)cc[nH]c3=O)ccc2C1=O
InChIInChI=1S/C24H31N5O2/c1-24(2,3)29-14-15-13-17(9-10-18(15)23(29)31)28-21(25)20-19(11-12-26-22(20)30)27-16-7-5-4-6-8-16/h9-13,16H,4-8,14H2,1-3H3,(H2,25,28)(H2,26,27,30)
InChIKeyKEBXXDCLWWZPIH-UHFFFAOYSA-N
MW421.55 g/mol
LogP3.91
Rot. Bonds4

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

N'-(2-tert-butyl-1-oxo-3H-isoindol-5-yl)-4-(cyclohexylamino)-2-oxo-1H-pyridine-3-carboximidamide (PubChem CID 137281947) has the molecular formula C24H31N5O2 and a molecular weight of 421.55 g/mol. Its IUPAC name is N'-(2-tert-butyl-1-oxo-3H-isoindol-5-yl)-4-(cyclohexylamino)-2-oxo-1H-pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-(2-tert-butyl-1-oxo-3H-isoindol-5-yl)-4-(cyclohexylamino)-2-oxo-1H-pyridine-3-carboximidamide
PubChem CID137281947
Molecular FormulaC24H31N5O2
Molecular Weight421.55 g/mol
Exact Mass421.25
IUPAC NameN'-(2-tert-butyl-1-oxo-3H-isoindol-5-yl)-4-(cyclohexylamino)-2-oxo-1H-pyridine-3-carboximidamide
SMILESCC(C)(C)N1Cc2cc(/N=C(\N)c3c(NC4CCCCC4)cc[nH]c3=O)ccc2C1=O
InChIInChI=1S/C24H31N5O2/c1-24(2,3)29-14-15-13-17(9-10-18(15)23(29)31)28-21(25)20-19(11-12-26-22(20)30)27-16-7-5-4-6-8-16/h9-13,16H,4-8,14H2,1-3H3,(H2,25,28)(H2,26,27,30)
InChIKeyKEBXXDCLWWZPIH-UHFFFAOYSA-N
XLogP3.91
TPSA103.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 53.91
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 N'-(2-tert-butyl-1-oxo-3H-isoindol-5-yl)-4-(cyclohexylamino)-2-oxo-1H-pyridine-3-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Amino-2-cyclohexylisoindole-1,3-dione
CID 804459
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
N-(12-oxo-10H-isoindolo[1,2-b]quinazolin-8-yl)butanamide
CID 356024
3-[(Z)-1-amino-2-[(2-methyl-1-oxo-3H-isoindol-5-yl)amino]ethenyl]-6-fluoro-1H-quinolin-2-one
CID 130244842
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

Frequently Asked Questions

What is the IUPAC name of N'-(2-tert-butyl-1-oxo-3H-isoindol-5-yl)-4-(cyclohexylamino)-2-oxo-1H-pyridine-3-carboximidamide?
The IUPAC name of N'-(2-tert-butyl-1-oxo-3H-isoindol-5-yl)-4-(cyclohexylamino)-2-oxo-1H-pyridine-3-carboximidamide (CID 137281947) is N'-(2-tert-butyl-1-oxo-3H-isoindol-5-yl)-4-(cyclohexylamino)-2-oxo-1H-pyridine-3-carboximidamide.
What is the SMILES notation for N'-(2-tert-butyl-1-oxo-3H-isoindol-5-yl)-4-(cyclohexylamino)-2-oxo-1H-pyridine-3-carboximidamide?
The canonical SMILES for N'-(2-tert-butyl-1-oxo-3H-isoindol-5-yl)-4-(cyclohexylamino)-2-oxo-1H-pyridine-3-carboximidamide is CC(C)(C)N1Cc2cc(/N=C(\N)c3c(NC4CCCCC4)cc[nH]c3=O)ccc2C1=O.
What is the InChIKey of N'-(2-tert-butyl-1-oxo-3H-isoindol-5-yl)-4-(cyclohexylamino)-2-oxo-1H-pyridine-3-carboximidamide?
The InChIKey is KEBXXDCLWWZPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2/c1-24(2,3)29-14-15-13-17(9-10-18(15)23(29)31)28-21(25)20-19(11-12-26-22(20)30)27-16-7-5-4-6-8-16/h9-13,16H,4-8,14H2,1-3H3,(H2,25,28)(H2,26,27,30).
What are the key properties of N'-(2-tert-butyl-1-oxo-3H-isoindol-5-yl)-4-(cyclohexylamino)-2-oxo-1H-pyridine-3-carboximidamide?
N'-(2-tert-butyl-1-oxo-3H-isoindol-5-yl)-4-(cyclohexylamino)-2-oxo-1H-pyridine-3-carboximidamide has a molecular weight of 421.55 g/mol, XLogP of 3.91, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-tert-butyl-1-oxo-3H-isoindol-5-yl)-4-(cyclohexylamino)-2-oxo-1H-pyridine-3-carboximidamide is sourced from PubChem (CID 137281947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).