1-acetyl-5-fluoro-N-(pyridin-4-ylmethyl)indole-3-carboxamide

C17H14FN3O2 — CID 113212364

IUPAC1-acetyl-5-fluoro-N-(pyridin-4-ylmethyl)indole-3-carboxamide
SMILESCC(=O)n1cc(C(=O)NCc2ccncc2)c2cc(F)ccc21
InChIInChI=1S/C17H14FN3O2/c1-11(22)21-10-15(14-8-13(18)2-3-16(14)21)17(23)20-9-12-4-6-19-7-5-12/h2-8,10H,9H2,1H3,(H,20,23)
InChIKeyQDAXCUDQUPQWGI-UHFFFAOYSA-N
MW311.32 g/mol
LogP2.77
Rot. Bonds3

About 1-acetyl-5-fluoro-N-(pyridin-4-ylmethyl)indole-3-carboxamide

1-acetyl-5-fluoro-N-(pyridin-4-ylmethyl)indole-3-carboxamide (PubChem CID 113212364) has the molecular formula C17H14FN3O2 and a molecular weight of 311.32 g/mol. Its IUPAC name is 1-acetyl-5-fluoro-N-(pyridin-4-ylmethyl)indole-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-5-fluoro-N-(pyridin-4-ylmethyl)indole-3-carboxamide
PubChem CID113212364
Molecular FormulaC17H14FN3O2
Molecular Weight311.32 g/mol
Exact Mass311.11
IUPAC Name1-acetyl-5-fluoro-N-(pyridin-4-ylmethyl)indole-3-carboxamide
SMILESCC(=O)n1cc(C(=O)NCc2ccncc2)c2cc(F)ccc21
InChIInChI=1S/C17H14FN3O2/c1-11(22)21-10-15(14-8-13(18)2-3-16(14)21)17(23)20-9-12-4-6-19-7-5-12/h2-8,10H,9H2,1H3,(H,20,23)
InChIKeyQDAXCUDQUPQWGI-UHFFFAOYSA-N
XLogP2.77
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-1-acetyl-5-fluoroindole-3-carboxamide
CID 113212468
1-acetyl-5-methoxy-N-(pyridin-3-ylmethyl)indole-3-carboxamide
CID 113212725
1-acetyl-N-[(3,4-dimethoxyphenyl)methyl]-6-fluoroindole-3-carboxamide
CID 113212918
1-acetyl-N-(3,4-dimethoxyphenyl)-5-fluoroindole-3-carboxamide
CID 113212461
1-acetyl-6-fluoro-N-(3-methylbutyl)indole-3-carboxamide
CID 113212938
1-acetyl-N-(2-chloro-4,6-dimethylphenyl)-5-fluoroindole-3-carboxamide
CID 113212446
1-acetyl-5-fluoro-N-(4-piperidin-1-ylphenyl)indole-3-carboxamide
CID 113212477
5-fluoro-N-(pyridin-4-ylmethyl)-2-(tetrazol-1-yl)benzamide
CID 42535796
1-acetyl-5-chloro-N-[(2-methoxyphenyl)methyl]indole-3-carboxamide
CID 113212552
N-benzyl-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide
CID 39850863
1-(4-fluorophenyl)-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 110372883
methyl 3-[(1-acetyl-5-fluoroindole-3-carbonyl)amino]-4-chlorobenzoate
CID 113212472

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-5-fluoro-N-(pyridin-4-ylmethyl)indole-3-carboxamide?
The IUPAC name of 1-acetyl-5-fluoro-N-(pyridin-4-ylmethyl)indole-3-carboxamide (CID 113212364) is 1-acetyl-5-fluoro-N-(pyridin-4-ylmethyl)indole-3-carboxamide.
What is the SMILES notation for 1-acetyl-5-fluoro-N-(pyridin-4-ylmethyl)indole-3-carboxamide?
The canonical SMILES for 1-acetyl-5-fluoro-N-(pyridin-4-ylmethyl)indole-3-carboxamide is CC(=O)n1cc(C(=O)NCc2ccncc2)c2cc(F)ccc21.
What is the InChIKey of 1-acetyl-5-fluoro-N-(pyridin-4-ylmethyl)indole-3-carboxamide?
The InChIKey is QDAXCUDQUPQWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2/c1-11(22)21-10-15(14-8-13(18)2-3-16(14)21)17(23)20-9-12-4-6-19-7-5-12/h2-8,10H,9H2,1H3,(H,20,23).
What are the key properties of 1-acetyl-5-fluoro-N-(pyridin-4-ylmethyl)indole-3-carboxamide?
1-acetyl-5-fluoro-N-(pyridin-4-ylmethyl)indole-3-carboxamide has a molecular weight of 311.32 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-5-fluoro-N-(pyridin-4-ylmethyl)indole-3-carboxamide is sourced from PubChem (CID 113212364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).