1,3-dihydroxy-2-propyl-N-(pyridine-3-carbonylimino)isoindole-5-carboxamide

C18H16N4O4 — CID 1293875

IUPAC1,3-dihydroxy-2-propyl-N-(pyridine-3-carbonylimino)isoindole-5-carboxamide
SMILESCCCn1c(O)c2ccc(C(=O)/N=N/C(=O)c3cccnc3)cc2c1O
InChIInChI=1S/C18H16N4O4/c1-2-8-22-17(25)13-6-5-11(9-14(13)18(22)26)15(23)20-21-16(24)12-4-3-7-19-10-12/h3-7,9-10,25-26H,2,8H2,1H3/b21-20+
InChIKeyFNHKPUOQAIZWPF-QZQOTICOSA-N
MW352.35 g/mol
LogP3.29
Rot. Bonds4

About 1,3-dihydroxy-2-propyl-N-(pyridine-3-carbonylimino)isoindole-5-carboxamide

1,3-dihydroxy-2-propyl-N-(pyridine-3-carbonylimino)isoindole-5-carboxamide (PubChem CID 1293875) has the molecular formula C18H16N4O4 and a molecular weight of 352.35 g/mol. Its IUPAC name is 1,3-dihydroxy-2-propyl-N-(pyridine-3-carbonylimino)isoindole-5-carboxamide.

Molecular Properties

Compound Name1,3-dihydroxy-2-propyl-N-(pyridine-3-carbonylimino)isoindole-5-carboxamide
PubChem CID1293875
Molecular FormulaC18H16N4O4
Molecular Weight352.35 g/mol
Exact Mass352.12
IUPAC Name1,3-dihydroxy-2-propyl-N-(pyridine-3-carbonylimino)isoindole-5-carboxamide
SMILESCCCn1c(O)c2ccc(C(=O)/N=N/C(=O)c3cccnc3)cc2c1O
InChIInChI=1S/C18H16N4O4/c1-2-8-22-17(25)13-6-5-11(9-14(13)18(22)26)15(23)20-21-16(24)12-4-3-7-19-10-12/h3-7,9-10,25-26H,2,8H2,1H3/b21-20+
InChIKeyFNHKPUOQAIZWPF-QZQOTICOSA-N
XLogP3.29
TPSA117.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

1,3-dihydroxy-N-(3-nitrobenzoyl)imino-2-propylisoindole-5-carboxamide
CID 135776331
N-sulfanylidenepyridine-3-carboxamide
CID 23289350
ethyl 2-[2-hydroxy-3-(pyridine-3-carbonyldiazenyl)indol-1-yl]acetate
CID 1365617
2-[3-[(7-chloroquinolin-4-yl)amino]propyl]-1,3-dihydroxy-N-(pyridine-4-carbonylimino)isoindole-5-carboxamide
CID 162673873
N-(2-hydroxy-1-propylindol-3-yl)iminobenzamide
CID 5030390
N-[2-hydroxy-1-(piperidin-1-ium-1-ylmethyl)indol-3-yl]iminopyridine-3-carboxamide
CID 135848862
1-pyridin-3-ylpentan-1-one
CID 12648543
iodoethane;pyridine-3-carboxylic acid
CID 158495952
1-phenyl-2-pyridin-3-ylethane-1,2-dione
CID 10987556
N-(5-ethyl-3-methyl-4-phenyl-1,3-thiazol-2-ylidene)pyridine-3-carboxamide
CID 4995666
2-pyridin-3-ylpent-1-en-3-one
CID 155931297
1-pyridin-3-ylundecan-1-one
CID 19756112

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroxy-2-propyl-N-(pyridine-3-carbonylimino)isoindole-5-carboxamide?
The IUPAC name of 1,3-dihydroxy-2-propyl-N-(pyridine-3-carbonylimino)isoindole-5-carboxamide (CID 1293875) is 1,3-dihydroxy-2-propyl-N-(pyridine-3-carbonylimino)isoindole-5-carboxamide.
What is the SMILES notation for 1,3-dihydroxy-2-propyl-N-(pyridine-3-carbonylimino)isoindole-5-carboxamide?
The canonical SMILES for 1,3-dihydroxy-2-propyl-N-(pyridine-3-carbonylimino)isoindole-5-carboxamide is CCCn1c(O)c2ccc(C(=O)/N=N/C(=O)c3cccnc3)cc2c1O.
What is the InChIKey of 1,3-dihydroxy-2-propyl-N-(pyridine-3-carbonylimino)isoindole-5-carboxamide?
The InChIKey is FNHKPUOQAIZWPF-QZQOTICOSA-N. The full InChI is InChI=1S/C18H16N4O4/c1-2-8-22-17(25)13-6-5-11(9-14(13)18(22)26)15(23)20-21-16(24)12-4-3-7-19-10-12/h3-7,9-10,25-26H,2,8H2,1H3/b21-20+.
What are the key properties of 1,3-dihydroxy-2-propyl-N-(pyridine-3-carbonylimino)isoindole-5-carboxamide?
1,3-dihydroxy-2-propyl-N-(pyridine-3-carbonylimino)isoindole-5-carboxamide has a molecular weight of 352.35 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroxy-2-propyl-N-(pyridine-3-carbonylimino)isoindole-5-carboxamide is sourced from PubChem (CID 1293875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).