N-(4-fluorophenyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyridine-3-carboxamide

C22H21FN4O2 — CID 69188638

IUPACN-(4-fluorophenyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyridine-3-carboxamide
SMILESO=C(c1cccnc1)N(Cc1ccc(N2CCOCC2)nc1)c1ccc(F)cc1
InChIInChI=1S/C22H21FN4O2/c23-19-4-6-20(7-5-19)27(22(28)18-2-1-9-24-15-18)16-17-3-8-21(25-14-17)26-10-12-29-13-11-26/h1-9,14-15H,10-13,16H2
InChIKeyICJYVSHVNGACOE-UHFFFAOYSA-N
MW392.43 g/mol
LogP3.30
Rot. Bonds5

About N-(4-fluorophenyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyridine-3-carboxamide

N-(4-fluorophenyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyridine-3-carboxamide (PubChem CID 69188638) has the molecular formula C22H21FN4O2 and a molecular weight of 392.43 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyridine-3-carboxamide
PubChem CID69188638
Molecular FormulaC22H21FN4O2
Molecular Weight392.43 g/mol
Exact Mass392.16
IUPAC NameN-(4-fluorophenyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyridine-3-carboxamide
SMILESO=C(c1cccnc1)N(Cc1ccc(N2CCOCC2)nc1)c1ccc(F)cc1
InChIInChI=1S/C22H21FN4O2/c23-19-4-6-20(7-5-19)27(22(28)18-2-1-9-24-15-18)16-17-3-8-21(25-14-17)26-10-12-29-13-11-26/h1-9,14-15H,10-13,16H2
InChIKeyICJYVSHVNGACOE-UHFFFAOYSA-N
XLogP3.30
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 110360828
N-[(6-acetyl-3-pyridinyl)methyl]-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 69168158
N-benzyl-6-morpholin-4-yl-N-phenylpyridine-3-carboxamide
CID 109153444
N-[[6-(4-cyclohexylpiperazin-1-yl)-3-pyridinyl]methyl]-N-(4-fluorophenyl)pyridazine-4-carboxamide
CID 69167242
N-(4-methoxyphenyl)-4-(morpholin-4-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 46957652
N-(4-fluorophenyl)-3-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 110360811
4-fluoro-N-[2-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-2-oxoethyl]benzamide
CID 17469565
N-(4-fluorophenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-1,3-benzothiazole-2-carboxamide
CID 25056602
N-cyclopentyl-N-[[6-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 69188742
N-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
CID 71938987
N-(4-fluorophenyl)-2-(6-methyl-3-pyridinyl)-N-(pyridin-3-ylmethyl)acetamide
CID 75416170
N-benzyl-N-phenylpyridine-3-carboxamide;hydrochloride
CID 110756627

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyridine-3-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyridine-3-carboxamide (CID 69188638) is N-(4-fluorophenyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyridine-3-carboxamide is O=C(c1cccnc1)N(Cc1ccc(N2CCOCC2)nc1)c1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyridine-3-carboxamide?
The InChIKey is ICJYVSHVNGACOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O2/c23-19-4-6-20(7-5-19)27(22(28)18-2-1-9-24-15-18)16-17-3-8-21(25-14-17)26-10-12-29-13-11-26/h1-9,14-15H,10-13,16H2.
What are the key properties of N-(4-fluorophenyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyridine-3-carboxamide?
N-(4-fluorophenyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyridine-3-carboxamide has a molecular weight of 392.43 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 69188638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).