4-amino-N'-(2-methyl-1,3-dihydroisoindol-5-yl)-2-oxo-1H-pyridine-3-carboximidamide

C15H17N5O — CID 137281973

IUPAC4-amino-N'-(2-methyl-1,3-dihydroisoindol-5-yl)-2-oxo-1H-pyridine-3-carboximidamide
SMILESCN1Cc2ccc(/N=C(\N)c3c(N)cc[nH]c3=O)cc2C1
InChIInChI=1S/C15H17N5O/c1-20-7-9-2-3-11(6-10(9)8-20)19-14(17)13-12(16)4-5-18-15(13)21/h2-6H,7-8H2,1H3,(H2,17,19)(H3,16,18,21)
InChIKeyDVXBTPZOEIENAO-UHFFFAOYSA-N
MW283.34 g/mol
LogP0.94
Rot. Bonds2

About 4-amino-N'-(2-methyl-1,3-dihydroisoindol-5-yl)-2-oxo-1H-pyridine-3-carboximidamide

4-amino-N'-(2-methyl-1,3-dihydroisoindol-5-yl)-2-oxo-1H-pyridine-3-carboximidamide (PubChem CID 137281973) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is 4-amino-N'-(2-methyl-1,3-dihydroisoindol-5-yl)-2-oxo-1H-pyridine-3-carboximidamide.

Molecular Properties

Compound Name4-amino-N'-(2-methyl-1,3-dihydroisoindol-5-yl)-2-oxo-1H-pyridine-3-carboximidamide
PubChem CID137281973
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC Name4-amino-N'-(2-methyl-1,3-dihydroisoindol-5-yl)-2-oxo-1H-pyridine-3-carboximidamide
SMILESCN1Cc2ccc(/N=C(\N)c3c(N)cc[nH]c3=O)cc2C1
InChIInChI=1S/C15H17N5O/c1-20-7-9-2-3-11(6-10(9)8-20)19-14(17)13-12(16)4-5-18-15(13)21/h2-6H,7-8H2,1H3,(H2,17,19)(H3,16,18,21)
InChIKeyDVXBTPZOEIENAO-UHFFFAOYSA-N
XLogP0.94
TPSA100.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 50.94
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

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-(cyclohexylamino)-2-oxo-N'-[4-[(1R)-1-(2,2,2-trifluoroethylamino)ethyl]phenyl]-1H-pyridine-3-carboximidamide
CID 137281984
4-(cyclohexylamino)-2-oxo-N'-[4-[2-(trifluoromethyl)pyrrolidin-2-yl]phenyl]-1H-pyridine-3-carboximidamide
CID 137282046
4-amino-N'-[4-[1-(tert-butylamino)-2,2,2-trifluoroethyl]phenyl]-2-oxo-1H-pyridine-3-carboximidamide
CID 137288582
4-amino-2-oxo-N'-[1-oxo-2-(2,2,2-trifluoroethyl)-3H-isoindol-5-yl]-1H-pyridine-3-carboximidamide
CID 137288628
N'-[2-(4,4-difluoro-1-methylcyclohexyl)-1-methylidene-3H-isoindol-5-yl]-4-[(4-ethyl-1-formylpiperidin-4-yl)amino]-2-oxo-1H-pyridine-3-carboximidamide
CID 139304528
4-(cyclohexylamino)-2-oxo-N'-[2-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-5-yl]-1H-pyridine-3-carboximidamide;ethene;formonitrile
CID 144712775
4-(cyclohexylamino)-2-oxo-N'-[4-[2-(trifluoromethyl)pyrrolidin-2-yl]phenyl]-1H-pyridine-3-carboximidamide;formonitrile
CID 144713177
4-[[(1S)-2-cyanocyclohexyl]amino]-N'-[1-(difluoromethyl)-2,3-dihydro-1H-isoindol-5-yl]-2-oxo-1H-pyridine-3-carboximidamide
CID 144713191
4-amino-N'-[4-[1-(dimethylamino)-2,2,2-trifluoroethyl]phenyl]-2-oxo-1H-pyridine-3-carboximidamide;ethane
CID 144713220
4-amino-N'-[4-[1-(dimethylamino)-2,2,2-trifluoroethyl]phenyl]-2-oxo-1H-pyridine-3-carboximidamide;formonitrile
CID 144713485

Frequently Asked Questions

What is the IUPAC name of 4-amino-N'-(2-methyl-1,3-dihydroisoindol-5-yl)-2-oxo-1H-pyridine-3-carboximidamide?
The IUPAC name of 4-amino-N'-(2-methyl-1,3-dihydroisoindol-5-yl)-2-oxo-1H-pyridine-3-carboximidamide (CID 137281973) is 4-amino-N'-(2-methyl-1,3-dihydroisoindol-5-yl)-2-oxo-1H-pyridine-3-carboximidamide.
What is the SMILES notation for 4-amino-N'-(2-methyl-1,3-dihydroisoindol-5-yl)-2-oxo-1H-pyridine-3-carboximidamide?
The canonical SMILES for 4-amino-N'-(2-methyl-1,3-dihydroisoindol-5-yl)-2-oxo-1H-pyridine-3-carboximidamide is CN1Cc2ccc(/N=C(\N)c3c(N)cc[nH]c3=O)cc2C1.
What is the InChIKey of 4-amino-N'-(2-methyl-1,3-dihydroisoindol-5-yl)-2-oxo-1H-pyridine-3-carboximidamide?
The InChIKey is DVXBTPZOEIENAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-20-7-9-2-3-11(6-10(9)8-20)19-14(17)13-12(16)4-5-18-15(13)21/h2-6H,7-8H2,1H3,(H2,17,19)(H3,16,18,21).
What are the key properties of 4-amino-N'-(2-methyl-1,3-dihydroisoindol-5-yl)-2-oxo-1H-pyridine-3-carboximidamide?
4-amino-N'-(2-methyl-1,3-dihydroisoindol-5-yl)-2-oxo-1H-pyridine-3-carboximidamide has a molecular weight of 283.34 g/mol, XLogP of 0.94, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N'-(2-methyl-1,3-dihydroisoindol-5-yl)-2-oxo-1H-pyridine-3-carboximidamide is sourced from PubChem (CID 137281973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).