N-[2-(4-fluorophenyl)ethyl]-N-methyl-4-morpholin-4-ylpyridine-2-carboxamide

C19H22FN3O2 — CID 99627318

IUPACN-[2-(4-fluorophenyl)ethyl]-N-methyl-4-morpholin-4-ylpyridine-2-carboxamide
SMILESCN(CCc1ccc(F)cc1)C(=O)c1cc(N2CCOCC2)ccn1
InChIInChI=1S/C19H22FN3O2/c1-22(9-7-15-2-4-16(20)5-3-15)19(24)18-14-17(6-8-21-18)23-10-12-25-13-11-23/h2-6,8,14H,7,9-13H2,1H3
InChIKeyZZWMITYHTUQXAA-UHFFFAOYSA-N
MW343.40 g/mol
LogP2.37
Rot. Bonds5

About N-[2-(4-fluorophenyl)ethyl]-N-methyl-4-morpholin-4-ylpyridine-2-carboxamide

N-[2-(4-fluorophenyl)ethyl]-N-methyl-4-morpholin-4-ylpyridine-2-carboxamide (PubChem CID 99627318) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-N-methyl-4-morpholin-4-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-N-methyl-4-morpholin-4-ylpyridine-2-carboxamide
PubChem CID99627318
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-N-methyl-4-morpholin-4-ylpyridine-2-carboxamide
SMILESCN(CCc1ccc(F)cc1)C(=O)c1cc(N2CCOCC2)ccn1
InChIInChI=1S/C19H22FN3O2/c1-22(9-7-15-2-4-16(20)5-3-15)19(24)18-14-17(6-8-21-18)23-10-12-25-13-11-23/h2-6,8,14H,7,9-13H2,1H3
InChIKeyZZWMITYHTUQXAA-UHFFFAOYSA-N
XLogP2.37
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 65975
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CID 117610044
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CID 1835917
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CID 2604307
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CID 2986895
[3-Methyl-4-(3-methylphenyl)piperazin-1-yl]-pyridin-2-ylmethanone
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N-[2-(4-fluorophenyl)-2-(morpholin-4-yl)ethyl]-1-methyl-1H-pyrrole-2-carboxamide
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4,4'-(2,5-Pyridinediyldicarbonyl)dimorpholine
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CID 2164976

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-N-methyl-4-morpholin-4-ylpyridine-2-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-N-methyl-4-morpholin-4-ylpyridine-2-carboxamide (CID 99627318) is N-[2-(4-fluorophenyl)ethyl]-N-methyl-4-morpholin-4-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-N-methyl-4-morpholin-4-ylpyridine-2-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-N-methyl-4-morpholin-4-ylpyridine-2-carboxamide is CN(CCc1ccc(F)cc1)C(=O)c1cc(N2CCOCC2)ccn1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-N-methyl-4-morpholin-4-ylpyridine-2-carboxamide?
The InChIKey is ZZWMITYHTUQXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-22(9-7-15-2-4-16(20)5-3-15)19(24)18-14-17(6-8-21-18)23-10-12-25-13-11-23/h2-6,8,14H,7,9-13H2,1H3.
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-N-methyl-4-morpholin-4-ylpyridine-2-carboxamide?
N-[2-(4-fluorophenyl)ethyl]-N-methyl-4-morpholin-4-ylpyridine-2-carboxamide has a molecular weight of 343.40 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-N-methyl-4-morpholin-4-ylpyridine-2-carboxamide is sourced from PubChem (CID 99627318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).