4-fluoro-N-[(2S)-1-pyridin-2-ylpropan-2-yl]-1H-indole-2-carboxamide

C17H16FN3O — CID 92582134

IUPAC4-fluoro-N-[(2S)-1-pyridin-2-ylpropan-2-yl]-1H-indole-2-carboxamide
SMILESC[C@@H](Cc1ccccn1)NC(=O)c1cc2c(F)cccc2[nH]1
InChIInChI=1S/C17H16FN3O/c1-11(9-12-5-2-3-8-19-12)20-17(22)16-10-13-14(18)6-4-7-15(13)21-16/h2-8,10-11,21H,9H2,1H3,(H,20,22)/t11-/m0/s1
InChIKeyIGHQKYYYFZDZNV-NSHDSACASA-N
MW297.33 g/mol
LogP3.06
Rot. Bonds4

About 4-fluoro-N-[(2S)-1-pyridin-2-ylpropan-2-yl]-1H-indole-2-carboxamide

4-fluoro-N-[(2S)-1-pyridin-2-ylpropan-2-yl]-1H-indole-2-carboxamide (PubChem CID 92582134) has the molecular formula C17H16FN3O and a molecular weight of 297.33 g/mol. Its IUPAC name is 4-fluoro-N-[(2S)-1-pyridin-2-ylpropan-2-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-[(2S)-1-pyridin-2-ylpropan-2-yl]-1H-indole-2-carboxamide
PubChem CID92582134
Molecular FormulaC17H16FN3O
Molecular Weight297.33 g/mol
Exact Mass297.13
IUPAC Name4-fluoro-N-[(2S)-1-pyridin-2-ylpropan-2-yl]-1H-indole-2-carboxamide
SMILESC[C@@H](Cc1ccccn1)NC(=O)c1cc2c(F)cccc2[nH]1
InChIInChI=1S/C17H16FN3O/c1-11(9-12-5-2-3-8-19-12)20-17(22)16-10-13-14(18)6-4-7-15(13)21-16/h2-8,10-11,21H,9H2,1H3,(H,20,22)/t11-/m0/s1
InChIKeyIGHQKYYYFZDZNV-NSHDSACASA-N
XLogP3.06
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-fluoro-N-[(2S)-1-pyridin-2-ylpropan-2-yl]-1H-indole-2-carboxamide with MolForge

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Related Compounds

methyl (3S)-3-[(4-fluoro-1H-indole-2-carbonyl)amino]butanoate
CID 95933772
4-fluoro-N-[(1R)-2-methyl-1-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)propyl]-1H-indole-2-carboxamide
CID 135963278
N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-4-fluoro-1H-indole-2-carboxamide
CID 171676565
4-fluoro-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide
CID 36865190
(2S)-2-[[2-[(4-fluoro-1H-indole-2-carbonyl)amino]acetyl]amino]-4-methylpentanoic acid
CID 120695269
(2S)-2-[(4-fluoro-1H-indole-2-carbonyl)amino]-3-(4-iodophenyl)propanoic acid
CID 164610657
methyl 2-[(4-fluoro-1H-indole-2-carbonyl)amino]acetate
CID 47153631
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-4-fluoro-1H-indole-2-carboxamide
CID 111451520
N-[6-(diethylamino)-3-pyridinyl]-4-fluoro-1H-indole-2-carboxamide
CID 55843504
N-(1-aminopropan-2-yl)-4-methoxy-1H-indole-2-carboxamide
CID 110833457
4-fluoro-N-(1-hydroxypropan-2-yl)-N-methyl-1H-indole-2-carboxamide
CID 109388525
2-amino-1-(4-fluoro-1H-indol-2-yl)ethanone
CID 82402932

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(2S)-1-pyridin-2-ylpropan-2-yl]-1H-indole-2-carboxamide?
The IUPAC name of 4-fluoro-N-[(2S)-1-pyridin-2-ylpropan-2-yl]-1H-indole-2-carboxamide (CID 92582134) is 4-fluoro-N-[(2S)-1-pyridin-2-ylpropan-2-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 4-fluoro-N-[(2S)-1-pyridin-2-ylpropan-2-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 4-fluoro-N-[(2S)-1-pyridin-2-ylpropan-2-yl]-1H-indole-2-carboxamide is C[C@@H](Cc1ccccn1)NC(=O)c1cc2c(F)cccc2[nH]1.
What is the InChIKey of 4-fluoro-N-[(2S)-1-pyridin-2-ylpropan-2-yl]-1H-indole-2-carboxamide?
The InChIKey is IGHQKYYYFZDZNV-NSHDSACASA-N. The full InChI is InChI=1S/C17H16FN3O/c1-11(9-12-5-2-3-8-19-12)20-17(22)16-10-13-14(18)6-4-7-15(13)21-16/h2-8,10-11,21H,9H2,1H3,(H,20,22)/t11-/m0/s1.
What are the key properties of 4-fluoro-N-[(2S)-1-pyridin-2-ylpropan-2-yl]-1H-indole-2-carboxamide?
4-fluoro-N-[(2S)-1-pyridin-2-ylpropan-2-yl]-1H-indole-2-carboxamide has a molecular weight of 297.33 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(2S)-1-pyridin-2-ylpropan-2-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 92582134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).