7-amino-N-(3-fluoro-4-pyridinyl)-1H-indole-2-carboxamide

C14H11FN4O — CID 107594603

IUPAC7-amino-N-(3-fluoro-4-pyridinyl)-1H-indole-2-carboxamide
SMILESNc1cccc2cc(C(=O)Nc3ccncc3F)[nH]c12
InChIInChI=1S/C14H11FN4O/c15-9-7-17-5-4-11(9)19-14(20)12-6-8-2-1-3-10(16)13(8)18-12/h1-7,18H,16H2,(H,17,19,20)
InChIKeyJOVDWCINXKAOPE-UHFFFAOYSA-N
MW270.27 g/mol
LogP2.54
Rot. Bonds2

About 7-amino-N-(3-fluoro-4-pyridinyl)-1H-indole-2-carboxamide

7-amino-N-(3-fluoro-4-pyridinyl)-1H-indole-2-carboxamide (PubChem CID 107594603) has the molecular formula C14H11FN4O and a molecular weight of 270.27 g/mol. Its IUPAC name is 7-amino-N-(3-fluoro-4-pyridinyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-amino-N-(3-fluoro-4-pyridinyl)-1H-indole-2-carboxamide
PubChem CID107594603
Molecular FormulaC14H11FN4O
Molecular Weight270.27 g/mol
Exact Mass270.09
IUPAC Name7-amino-N-(3-fluoro-4-pyridinyl)-1H-indole-2-carboxamide
SMILESNc1cccc2cc(C(=O)Nc3ccncc3F)[nH]c12
InChIInChI=1S/C14H11FN4O/c15-9-7-17-5-4-11(9)19-14(20)12-6-8-2-1-3-10(16)13(8)18-12/h1-7,18H,16H2,(H,17,19,20)
InChIKeyJOVDWCINXKAOPE-UHFFFAOYSA-N
XLogP2.54
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(3-fluoro-4-pyridinyl)benzamide
CID 107594598
7-amino-N-(4-chlorophenyl)-1H-indole-2-carboxamide
CID 63117531
7-amino-N-(3-fluoro-5-methylphenyl)-1H-indole-2-carboxamide
CID 79041127
3-amino-N-(3-fluoro-4-pyridinyl)pyridine-2-carboxamide
CID 107594913
7-amino-N-(4-bromo-2-methylphenyl)-1H-indole-2-carboxamide
CID 63117458
7-amino-N-(3-methyl-2-pyridinyl)-1H-indole-2-carboxamide
CID 63117500
N-(3-fluoro-4-pyridinyl)-3-hydrazinylpyridine-4-carboxamide
CID 107595570
7-amino-N-(4,6-dimethyl-2-pyridinyl)-1H-indole-2-carboxamide
CID 114931643
7-amino-N-(4-methoxyphenyl)-1H-indole-2-carboxamide
CID 62057891
7-amino-N-(1-methylpyrazol-3-yl)-1H-indole-2-carboxamide
CID 62058461
7-amino-N-(2-chloro-6-methylphenyl)-1H-indole-2-carboxamide
CID 66251996
2-amino-6-ethoxy-N-(3-fluoro-4-pyridinyl)benzamide
CID 107594556

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(3-fluoro-4-pyridinyl)-1H-indole-2-carboxamide?
The IUPAC name of 7-amino-N-(3-fluoro-4-pyridinyl)-1H-indole-2-carboxamide (CID 107594603) is 7-amino-N-(3-fluoro-4-pyridinyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 7-amino-N-(3-fluoro-4-pyridinyl)-1H-indole-2-carboxamide?
The canonical SMILES for 7-amino-N-(3-fluoro-4-pyridinyl)-1H-indole-2-carboxamide is Nc1cccc2cc(C(=O)Nc3ccncc3F)[nH]c12.
What is the InChIKey of 7-amino-N-(3-fluoro-4-pyridinyl)-1H-indole-2-carboxamide?
The InChIKey is JOVDWCINXKAOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O/c15-9-7-17-5-4-11(9)19-14(20)12-6-8-2-1-3-10(16)13(8)18-12/h1-7,18H,16H2,(H,17,19,20).
What are the key properties of 7-amino-N-(3-fluoro-4-pyridinyl)-1H-indole-2-carboxamide?
7-amino-N-(3-fluoro-4-pyridinyl)-1H-indole-2-carboxamide has a molecular weight of 270.27 g/mol, XLogP of 2.54, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(3-fluoro-4-pyridinyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 107594603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).