N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-6-morpholin-4-ylpyridine-3-carboxamide

C21H22FN5O2 — CID 46513046

IUPACN-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-6-morpholin-4-ylpyridine-3-carboxamide
SMILESCn1ccnc1C(NC(=O)c1ccc(N2CCOCC2)nc1)c1cccc(F)c1
InChIInChI=1S/C21H22FN5O2/c1-26-8-7-23-20(26)19(15-3-2-4-17(22)13-15)25-21(28)16-5-6-18(24-14-16)27-9-11-29-12-10-27/h2-8,13-14,19H,9-12H2,1H3,(H,25,28)
InChIKeyFJDWGBOOXSPVQJ-UHFFFAOYSA-N
MW395.44 g/mol
LogP2.31
Rot. Bonds5

About N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-6-morpholin-4-ylpyridine-3-carboxamide

N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-6-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 46513046) has the molecular formula C21H22FN5O2 and a molecular weight of 395.44 g/mol. Its IUPAC name is N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-6-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-6-morpholin-4-ylpyridine-3-carboxamide
PubChem CID46513046
Molecular FormulaC21H22FN5O2
Molecular Weight395.44 g/mol
Exact Mass395.18
IUPAC NameN-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-6-morpholin-4-ylpyridine-3-carboxamide
SMILESCn1ccnc1C(NC(=O)c1ccc(N2CCOCC2)nc1)c1cccc(F)c1
InChIInChI=1S/C21H22FN5O2/c1-26-8-7-23-20(26)19(15-3-2-4-17(22)13-15)25-21(28)16-5-6-18(24-14-16)27-9-11-29-12-10-27/h2-8,13-14,19H,9-12H2,1H3,(H,25,28)
InChIKeyFJDWGBOOXSPVQJ-UHFFFAOYSA-N
XLogP2.31
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-methylpyrazole-4-carboxamide
CID 31503143
N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 31359845
N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 27900176
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]thiophene-3-carboxamide
CID 47014692
N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methylpyrazine-2-carboxamide
CID 25356221
N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,5-dimethoxy-4-methylbenzamide
CID 25341523
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methyl-3-pyrrol-1-ylbenzamide
CID 24597988
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 46698449
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]morpholine-4-sulfonamide
CID 42937633
4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 25406619
N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-nitrobenzamide
CID 40939581
2-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 47014672

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-6-morpholin-4-ylpyridine-3-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-6-morpholin-4-ylpyridine-3-carboxamide (CID 46513046) is N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-6-morpholin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-6-morpholin-4-ylpyridine-3-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-6-morpholin-4-ylpyridine-3-carboxamide is Cn1ccnc1C(NC(=O)c1ccc(N2CCOCC2)nc1)c1cccc(F)c1.
What is the InChIKey of N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-6-morpholin-4-ylpyridine-3-carboxamide?
The InChIKey is FJDWGBOOXSPVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O2/c1-26-8-7-23-20(26)19(15-3-2-4-17(22)13-15)25-21(28)16-5-6-18(24-14-16)27-9-11-29-12-10-27/h2-8,13-14,19H,9-12H2,1H3,(H,25,28).
What are the key properties of N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-6-morpholin-4-ylpyridine-3-carboxamide?
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-6-morpholin-4-ylpyridine-3-carboxamide has a molecular weight of 395.44 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-6-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 46513046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).