4-(18F)fluoro-N-propan-2-ylpyridine-3-carboxamide

C9H11FN2O — CID 172512860

IUPAC4-(18F)fluoro-N-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)NC(=O)c1cnccc1[18F]
InChIInChI=1S/C9H11FN2O/c1-6(2)12-9(13)7-5-11-4-3-8(7)10/h3-6H,1-2H3,(H,12,13)/i10-1
InChIKeyYGMXJSGRZMILHO-LMANFOLPSA-N
MW181.20 g/mol
LogP1.36
Rot. Bonds2

About 4-(18F)fluoro-N-propan-2-ylpyridine-3-carboxamide

4-(18F)fluoro-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 172512860) has the molecular formula C9H11FN2O and a molecular weight of 181.20 g/mol. Its IUPAC name is 4-(18F)fluoro-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-(18F)fluoro-N-propan-2-ylpyridine-3-carboxamide
PubChem CID172512860
Molecular FormulaC9H11FN2O
Molecular Weight181.20 g/mol
Exact Mass181.09
IUPAC Name4-(18F)fluoro-N-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)NC(=O)c1cnccc1[18F]
InChIInChI=1S/C9H11FN2O/c1-6(2)12-9(13)7-5-11-4-3-8(7)10/h3-6H,1-2H3,(H,12,13)/i10-1
InChIKeyYGMXJSGRZMILHO-LMANFOLPSA-N
XLogP1.36
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-fluoropyridine-3-carboxylate
CID 46311150
4-(ethylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 81236067
4-fluoropyridine-3-carboxylic acid
CID 2762936
2-(3-fluoro-4-pyridinyl)-N-propan-2-ylpyridine-4-carboxamide
CID 74244345
N-(1-ethoxy-3-methylbutan-2-yl)-3-fluoropyridine-4-carboxamide
CID 103274823
N-(1-cyclobutylethyl)-3-fluoropyridine-4-carboxamide
CID 115769013
N-(5-bromopentan-2-yl)-3-fluoropyridine-4-carboxamide
CID 114316575
N-[1-(dimethylamino)-3-methylbutan-2-yl]-3-fluoropyridine-4-carboxamide
CID 115646512
3-fluoro-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-4-carboxamide
CID 115646316
2-fluoro-N-propan-2-ylpyridine-3-carboxamide
CID 83404912
methyl (2R)-2-[[4-[3-[[(2R)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-4-pyridinyl]pyridine-3-carbonyl]amino]propanoate
CID 139180597
2-fluoro-N-[(1S)-1-pyridin-4-ylethyl]benzamide
CID 40585288

Frequently Asked Questions

What is the IUPAC name of 4-(18F)fluoro-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 4-(18F)fluoro-N-propan-2-ylpyridine-3-carboxamide (CID 172512860) is 4-(18F)fluoro-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 4-(18F)fluoro-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 4-(18F)fluoro-N-propan-2-ylpyridine-3-carboxamide is CC(C)NC(=O)c1cnccc1[18F].
What is the InChIKey of 4-(18F)fluoro-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is YGMXJSGRZMILHO-LMANFOLPSA-N. The full InChI is InChI=1S/C9H11FN2O/c1-6(2)12-9(13)7-5-11-4-3-8(7)10/h3-6H,1-2H3,(H,12,13)/i10-1.
What are the key properties of 4-(18F)fluoro-N-propan-2-ylpyridine-3-carboxamide?
4-(18F)fluoro-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 181.20 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(18F)fluoro-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 172512860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).