N-(2-amino-5-pyridin-4-ylphenyl)-4-fluoro-1,3-dihydroisoindole-2-carboxamide

C20H17FN4O — CID 89157827

IUPACN-(2-amino-5-pyridin-4-ylphenyl)-4-fluoro-1,3-dihydroisoindole-2-carboxamide
SMILESNc1ccc(-c2ccncc2)cc1NC(=O)N1Cc2cccc(F)c2C1
InChIInChI=1S/C20H17FN4O/c21-17-3-1-2-15-11-25(12-16(15)17)20(26)24-19-10-14(4-5-18(19)22)13-6-8-23-9-7-13/h1-10H,11-12,22H2,(H,24,26)
InChIKeyIKCLNSPMJIWUSF-UHFFFAOYSA-N
MW348.38 g/mol
LogP4.02
Rot. Bonds2

About N-(2-amino-5-pyridin-4-ylphenyl)-4-fluoro-1,3-dihydroisoindole-2-carboxamide

N-(2-amino-5-pyridin-4-ylphenyl)-4-fluoro-1,3-dihydroisoindole-2-carboxamide (PubChem CID 89157827) has the molecular formula C20H17FN4O and a molecular weight of 348.38 g/mol. Its IUPAC name is N-(2-amino-5-pyridin-4-ylphenyl)-4-fluoro-1,3-dihydroisoindole-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-pyridin-4-ylphenyl)-4-fluoro-1,3-dihydroisoindole-2-carboxamide
PubChem CID89157827
Molecular FormulaC20H17FN4O
Molecular Weight348.38 g/mol
Exact Mass348.14
IUPAC NameN-(2-amino-5-pyridin-4-ylphenyl)-4-fluoro-1,3-dihydroisoindole-2-carboxamide
SMILESNc1ccc(-c2ccncc2)cc1NC(=O)N1Cc2cccc(F)c2C1
InChIInChI=1S/C20H17FN4O/c21-17-3-1-2-15-11-25(12-16(15)17)20(26)24-19-10-14(4-5-18(19)22)13-6-8-23-9-7-13/h1-10H,11-12,22H2,(H,24,26)
InChIKeyIKCLNSPMJIWUSF-UHFFFAOYSA-N
XLogP4.02
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-pyridin-4-ylphenyl)-4-fluoro-1,3-dihydroisoindole-2-carboxamide?
The IUPAC name of N-(2-amino-5-pyridin-4-ylphenyl)-4-fluoro-1,3-dihydroisoindole-2-carboxamide (CID 89157827) is N-(2-amino-5-pyridin-4-ylphenyl)-4-fluoro-1,3-dihydroisoindole-2-carboxamide.
What is the SMILES notation for N-(2-amino-5-pyridin-4-ylphenyl)-4-fluoro-1,3-dihydroisoindole-2-carboxamide?
The canonical SMILES for N-(2-amino-5-pyridin-4-ylphenyl)-4-fluoro-1,3-dihydroisoindole-2-carboxamide is Nc1ccc(-c2ccncc2)cc1NC(=O)N1Cc2cccc(F)c2C1.
What is the InChIKey of N-(2-amino-5-pyridin-4-ylphenyl)-4-fluoro-1,3-dihydroisoindole-2-carboxamide?
The InChIKey is IKCLNSPMJIWUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O/c21-17-3-1-2-15-11-25(12-16(15)17)20(26)24-19-10-14(4-5-18(19)22)13-6-8-23-9-7-13/h1-10H,11-12,22H2,(H,24,26).
What are the key properties of N-(2-amino-5-pyridin-4-ylphenyl)-4-fluoro-1,3-dihydroisoindole-2-carboxamide?
N-(2-amino-5-pyridin-4-ylphenyl)-4-fluoro-1,3-dihydroisoindole-2-carboxamide has a molecular weight of 348.38 g/mol, XLogP of 4.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-pyridin-4-ylphenyl)-4-fluoro-1,3-dihydroisoindole-2-carboxamide is sourced from PubChem (CID 89157827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).