5-fluoro-N-(1-pyridin-2-ylethyl)-1H-indole-2-carboxamide

C16H14FN3O — CID 42947302

IUPAC5-fluoro-N-(1-pyridin-2-ylethyl)-1H-indole-2-carboxamide
SMILESCC(NC(=O)c1cc2cc(F)ccc2[nH]1)c1ccccn1
InChIInChI=1S/C16H14FN3O/c1-10(13-4-2-3-7-18-13)19-16(21)15-9-11-8-12(17)5-6-14(11)20-15/h2-10,20H,1H3,(H,19,21)
InChIKeyKUNAQVHIHXSTLK-UHFFFAOYSA-N
MW283.31 g/mol
LogP3.19
Rot. Bonds3

About 5-fluoro-N-(1-pyridin-2-ylethyl)-1H-indole-2-carboxamide

5-fluoro-N-(1-pyridin-2-ylethyl)-1H-indole-2-carboxamide (PubChem CID 42947302) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is 5-fluoro-N-(1-pyridin-2-ylethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-(1-pyridin-2-ylethyl)-1H-indole-2-carboxamide
PubChem CID42947302
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name5-fluoro-N-(1-pyridin-2-ylethyl)-1H-indole-2-carboxamide
SMILESCC(NC(=O)c1cc2cc(F)ccc2[nH]1)c1ccccn1
InChIInChI=1S/C16H14FN3O/c1-10(13-4-2-3-7-18-13)19-16(21)15-9-11-8-12(17)5-6-14(11)20-15/h2-10,20H,1H3,(H,19,21)
InChIKeyKUNAQVHIHXSTLK-UHFFFAOYSA-N
XLogP3.19
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-N-(1-pyridin-2-ylethyl)-1H-indole-2-carboxamide
CID 63117840
5-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide
CID 4910187
5-fluoro-N-[(1R)-1-(3-fluorophenyl)ethyl]-1H-indole-2-carboxamide
CID 25487390
5-fluoro-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-1H-indole-2-carboxamide
CID 67289264
4,6-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]-1H-indole-2-carboxamide
CID 38432063
5-fluoro-N-[(2R)-4-phenylbutan-2-yl]-1H-indole-2-carboxamide
CID 39982788
N-[1-(2,5-difluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide
CID 46588010
1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(1R)-1-pyridin-2-ylethyl]urea
CID 33431970
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-5-fluoro-1H-indole-2-carboxamide
CID 39983681
(2S,3S)-2-[(5-fluoro-1H-indole-2-carbonyl)amino]-3-methylpentanoic acid
CID 119194117
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-5-fluoro-1H-indole-2-carboxamide
CID 46414828
5-amino-2,4-difluoro-N-(1-pyridin-2-ylethyl)benzamide
CID 61092654

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(1-pyridin-2-ylethyl)-1H-indole-2-carboxamide?
The IUPAC name of 5-fluoro-N-(1-pyridin-2-ylethyl)-1H-indole-2-carboxamide (CID 42947302) is 5-fluoro-N-(1-pyridin-2-ylethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-(1-pyridin-2-ylethyl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-fluoro-N-(1-pyridin-2-ylethyl)-1H-indole-2-carboxamide is CC(NC(=O)c1cc2cc(F)ccc2[nH]1)c1ccccn1.
What is the InChIKey of 5-fluoro-N-(1-pyridin-2-ylethyl)-1H-indole-2-carboxamide?
The InChIKey is KUNAQVHIHXSTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c1-10(13-4-2-3-7-18-13)19-16(21)15-9-11-8-12(17)5-6-14(11)20-15/h2-10,20H,1H3,(H,19,21).
What are the key properties of 5-fluoro-N-(1-pyridin-2-ylethyl)-1H-indole-2-carboxamide?
5-fluoro-N-(1-pyridin-2-ylethyl)-1H-indole-2-carboxamide has a molecular weight of 283.31 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(1-pyridin-2-ylethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 42947302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).