4-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methylpyridine-2,4-dicarboxamide;hydrochloride

C18H20ClFN4O3 — CID 71087312

IUPAC4-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methylpyridine-2,4-dicarboxamide;hydrochloride
SMILESCc1cc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2F)cc(C(N)=O)n1.Cl
InChIInChI=1S/C18H19FN4O3.ClH/c1-10-6-12(8-15(22-10)17(20)24)18(25)23-14-3-2-11(7-13(14)19)16-9-21-4-5-26-16;/h2-3,6-8,16,21H,4-5,9H2,1H3,(H2,20,24)(H,23,25);1H/t16-;/m1./s1
InChIKeyQLIYIXQGNFFZSZ-PKLMIRHRSA-N
MW394.83 g/mol
LogP1.96
Rot. Bonds4

About 4-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methylpyridine-2,4-dicarboxamide;hydrochloride

4-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methylpyridine-2,4-dicarboxamide;hydrochloride (PubChem CID 71087312) has the molecular formula C18H20ClFN4O3 and a molecular weight of 394.83 g/mol. Its IUPAC name is 4-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methylpyridine-2,4-dicarboxamide;hydrochloride.

Molecular Properties

Compound Name4-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methylpyridine-2,4-dicarboxamide;hydrochloride
PubChem CID71087312
Molecular FormulaC18H20ClFN4O3
Molecular Weight394.83 g/mol
Exact Mass394.12
IUPAC Name4-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methylpyridine-2,4-dicarboxamide;hydrochloride
SMILESCc1cc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2F)cc(C(N)=O)n1.Cl
InChIInChI=1S/C18H19FN4O3.ClH/c1-10-6-12(8-15(22-10)17(20)24)18(25)23-14-3-2-11(7-13(14)19)16-9-21-4-5-26-16;/h2-3,6-8,16,21H,4-5,9H2,1H3,(H2,20,24)(H,23,25);1H/t16-;/m1./s1
InChIKeyQLIYIXQGNFFZSZ-PKLMIRHRSA-N
XLogP1.96
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.83
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methylpyridine-2,4-dicarboxamide;hydrochloride?
The IUPAC name of 4-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methylpyridine-2,4-dicarboxamide;hydrochloride (CID 71087312) is 4-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methylpyridine-2,4-dicarboxamide;hydrochloride.
What is the SMILES notation for 4-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methylpyridine-2,4-dicarboxamide;hydrochloride?
The canonical SMILES for 4-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methylpyridine-2,4-dicarboxamide;hydrochloride is Cc1cc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2F)cc(C(N)=O)n1.Cl.
What is the InChIKey of 4-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methylpyridine-2,4-dicarboxamide;hydrochloride?
The InChIKey is QLIYIXQGNFFZSZ-PKLMIRHRSA-N. The full InChI is InChI=1S/C18H19FN4O3.ClH/c1-10-6-12(8-15(22-10)17(20)24)18(25)23-14-3-2-11(7-13(14)19)16-9-21-4-5-26-16;/h2-3,6-8,16,21H,4-5,9H2,1H3,(H2,20,24)(H,23,25);1H/t16-;/m1./s1.
What are the key properties of 4-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methylpyridine-2,4-dicarboxamide;hydrochloride?
4-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methylpyridine-2,4-dicarboxamide;hydrochloride has a molecular weight of 394.83 g/mol, XLogP of 1.96, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methylpyridine-2,4-dicarboxamide;hydrochloride is sourced from PubChem (CID 71087312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).