2-cyano-N-(3-fluoro-4-morpholin-2-ylphenyl)-6-methoxypyridine-4-carboxamide;hydrochloride

C18H18ClFN4O3 — CID 71087142

IUPAC2-cyano-N-(3-fluoro-4-morpholin-2-ylphenyl)-6-methoxypyridine-4-carboxamide;hydrochloride
SMILESCOc1cc(C(=O)Nc2ccc(C3CNCCO3)c(F)c2)cc(C#N)n1.Cl
InChIInChI=1S/C18H17FN4O3.ClH/c1-25-17-7-11(6-13(9-20)22-17)18(24)23-12-2-3-14(15(19)8-12)16-10-21-4-5-26-16;/h2-3,6-8,16,21H,4-5,10H2,1H3,(H,23,24);1H
InChIKeyPRJPTFHFINBKJB-UHFFFAOYSA-N
MW392.82 g/mol
LogP2.44
Rot. Bonds4

About 2-cyano-N-(3-fluoro-4-morpholin-2-ylphenyl)-6-methoxypyridine-4-carboxamide;hydrochloride

2-cyano-N-(3-fluoro-4-morpholin-2-ylphenyl)-6-methoxypyridine-4-carboxamide;hydrochloride (PubChem CID 71087142) has the molecular formula C18H18ClFN4O3 and a molecular weight of 392.82 g/mol. Its IUPAC name is 2-cyano-N-(3-fluoro-4-morpholin-2-ylphenyl)-6-methoxypyridine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-cyano-N-(3-fluoro-4-morpholin-2-ylphenyl)-6-methoxypyridine-4-carboxamide;hydrochloride
PubChem CID71087142
Molecular FormulaC18H18ClFN4O3
Molecular Weight392.82 g/mol
Exact Mass392.11
IUPAC Name2-cyano-N-(3-fluoro-4-morpholin-2-ylphenyl)-6-methoxypyridine-4-carboxamide;hydrochloride
SMILESCOc1cc(C(=O)Nc2ccc(C3CNCCO3)c(F)c2)cc(C#N)n1.Cl
InChIInChI=1S/C18H17FN4O3.ClH/c1-25-17-7-11(6-13(9-20)22-17)18(24)23-12-2-3-14(15(19)8-12)16-10-21-4-5-26-16;/h2-3,6-8,16,21H,4-5,10H2,1H3,(H,23,24);1H
InChIKeyPRJPTFHFINBKJB-UHFFFAOYSA-N
XLogP2.44
TPSA96.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.82
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyano-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methoxypyridine-4-carboxamide
CID 71087131
2-cyano-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methoxypyridine-4-carboxamide;1-(4-cyano-2-fluorophenyl)-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
CID 162144099
N-[3-chloro-4-[(2S)-morpholin-2-yl]phenyl]-2-cyano-6-methylpyridine-4-carboxamide
CID 71086740
2-cyano-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-6-methoxypyridine-4-carboxamide;1-(4-cyano-2-fluorophenyl)-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide;pyridine-2-carboxamide
CID 158152857
1-(4-cyano-2-fluorophenyl)-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
CID 71086724
5-ethoxy-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazine-2-carboxamide;hydrochloride
CID 90133875
5-(cyclopropylmethoxy)-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazine-2-carboxamide;hydrochloride
CID 122529822
4-chloro-6-cyano-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyridine-2-carboxamide;N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-[2-(trifluoromethyl)pyrimidin-4-yl]pyrazole-4-carboxamide
CID 158118023
4-methoxy-N-(4-morpholin-2-ylphenyl)benzamide;hydrochloride
CID 67239468
N-[3-chloro-4-[(2R)-morpholin-2-yl]phenyl]-2-ethoxypyridine-4-carboxamide
CID 71086784
N-(3-chloro-4-morpholin-2-ylphenyl)-6-ethoxypyridine-3-carboxamide;hydrochloride
CID 71086852
N-(3-chloro-4-morpholin-2-ylphenyl)-1-(4-cyanophenyl)pyrazole-4-carboxamide
CID 71086948

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(3-fluoro-4-morpholin-2-ylphenyl)-6-methoxypyridine-4-carboxamide;hydrochloride?
The IUPAC name of 2-cyano-N-(3-fluoro-4-morpholin-2-ylphenyl)-6-methoxypyridine-4-carboxamide;hydrochloride (CID 71087142) is 2-cyano-N-(3-fluoro-4-morpholin-2-ylphenyl)-6-methoxypyridine-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-cyano-N-(3-fluoro-4-morpholin-2-ylphenyl)-6-methoxypyridine-4-carboxamide;hydrochloride?
The canonical SMILES for 2-cyano-N-(3-fluoro-4-morpholin-2-ylphenyl)-6-methoxypyridine-4-carboxamide;hydrochloride is COc1cc(C(=O)Nc2ccc(C3CNCCO3)c(F)c2)cc(C#N)n1.Cl.
What is the InChIKey of 2-cyano-N-(3-fluoro-4-morpholin-2-ylphenyl)-6-methoxypyridine-4-carboxamide;hydrochloride?
The InChIKey is PRJPTFHFINBKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O3.ClH/c1-25-17-7-11(6-13(9-20)22-17)18(24)23-12-2-3-14(15(19)8-12)16-10-21-4-5-26-16;/h2-3,6-8,16,21H,4-5,10H2,1H3,(H,23,24);1H.
What are the key properties of 2-cyano-N-(3-fluoro-4-morpholin-2-ylphenyl)-6-methoxypyridine-4-carboxamide;hydrochloride?
2-cyano-N-(3-fluoro-4-morpholin-2-ylphenyl)-6-methoxypyridine-4-carboxamide;hydrochloride has a molecular weight of 392.82 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(3-fluoro-4-morpholin-2-ylphenyl)-6-methoxypyridine-4-carboxamide;hydrochloride is sourced from PubChem (CID 71087142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).