N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-3-fluoropyridine-4-carboxamide

C16H15FN2O2 — CID 99990409

IUPACN-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-3-fluoropyridine-4-carboxamide
SMILESO=C(NC[C@H]1OCCc2ccccc21)c1ccncc1F
InChIInChI=1S/C16H15FN2O2/c17-14-9-18-7-5-13(14)16(20)19-10-15-12-4-2-1-3-11(12)6-8-21-15/h1-5,7,9,15H,6,8,10H2,(H,19,20)/t15-/m1/s1
InChIKeyFQSYLDMYFSEELI-OAHLLOKOSA-N
MW286.31 g/mol
LogP2.26
Rot. Bonds3

About N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-3-fluoropyridine-4-carboxamide

N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-3-fluoropyridine-4-carboxamide (PubChem CID 99990409) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-3-fluoropyridine-4-carboxamide
PubChem CID99990409
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC NameN-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-3-fluoropyridine-4-carboxamide
SMILESO=C(NC[C@H]1OCCc2ccccc21)c1ccncc1F
InChIInChI=1S/C16H15FN2O2/c17-14-9-18-7-5-13(14)16(20)19-10-15-12-4-2-1-3-11(12)6-8-21-15/h1-5,7,9,15H,6,8,10H2,(H,19,20)/t15-/m1/s1
InChIKeyFQSYLDMYFSEELI-OAHLLOKOSA-N
XLogP2.26
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(3,4-dihydro-1H-isochromen-1-ylmethyl)benzamide
CID 2881036
N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-2-pyridin-3-ylacetamide
CID 99957581
2-bromo-N-(3,4-dihydro-1H-isochromen-1-ylmethyl)benzamide
CID 3132819
3-fluoro-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]pyridine-4-carboxamide
CID 129002144
N-(2,3-dihydro-1H-inden-1-yl)-3-fluoropyridine-4-carboxamide
CID 115645626
N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-fluoropyridine-4-carboxamide
CID 129003469
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 50958581
N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 99946586
2,4-dichloro-N-[4-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methylcarbamoyl]phenyl]benzamide
CID 2196671
5-N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide
CID 45237306
3-amino-4-chloro-N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-1H-pyrazole-5-carboxamide
CID 99927502
1-benzyl-3-N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-5-N-ethyl-4-oxopyridine-3,5-dicarboxamide
CID 42163060

Frequently Asked Questions

What is the IUPAC name of N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-3-fluoropyridine-4-carboxamide (CID 99990409) is N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-3-fluoropyridine-4-carboxamide is O=C(NC[C@H]1OCCc2ccccc21)c1ccncc1F.
What is the InChIKey of N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-3-fluoropyridine-4-carboxamide?
The InChIKey is FQSYLDMYFSEELI-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H15FN2O2/c17-14-9-18-7-5-13(14)16(20)19-10-15-12-4-2-1-3-11(12)6-8-21-15/h1-5,7,9,15H,6,8,10H2,(H,19,20)/t15-/m1/s1.
What are the key properties of N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-3-fluoropyridine-4-carboxamide?
N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-3-fluoropyridine-4-carboxamide has a molecular weight of 286.31 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 99990409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).