4-(3-fluorophenyl)-N-[[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]methyl]oxane-4-carboxamide

C23H24FN5O2 — CID 92610503

IUPAC4-(3-fluorophenyl)-N-[[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]methyl]oxane-4-carboxamide
SMILESCNc1cc(CNC(=O)C2(c3cccc(F)c3)CCOCC2)nc(-c2ccncc2)n1
InChIInChI=1S/C23H24FN5O2/c1-25-20-14-19(28-21(29-20)16-5-9-26-10-6-16)15-27-22(30)23(7-11-31-12-8-23)17-3-2-4-18(24)13-17/h2-6,9-10,13-14H,7-8,11-12,15H2,1H3,(H,27,30)(H,25,28,29)
InChIKeyICCOOHCBMCUHGI-UHFFFAOYSA-N
MW421.48 g/mol
LogP3.08
Rot. Bonds6

About 4-(3-fluorophenyl)-N-[[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]methyl]oxane-4-carboxamide

4-(3-fluorophenyl)-N-[[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]methyl]oxane-4-carboxamide (PubChem CID 92610503) has the molecular formula C23H24FN5O2 and a molecular weight of 421.48 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-N-[[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]methyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(3-fluorophenyl)-N-[[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]methyl]oxane-4-carboxamide
PubChem CID92610503
Molecular FormulaC23H24FN5O2
Molecular Weight421.48 g/mol
Exact Mass421.19
IUPAC Name4-(3-fluorophenyl)-N-[[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]methyl]oxane-4-carboxamide
SMILESCNc1cc(CNC(=O)C2(c3cccc(F)c3)CCOCC2)nc(-c2ccncc2)n1
InChIInChI=1S/C23H24FN5O2/c1-25-20-14-19(28-21(29-20)16-5-9-26-10-6-16)15-27-22(30)23(7-11-31-12-8-23)17-3-2-4-18(24)13-17/h2-6,9-10,13-14H,7-8,11-12,15H2,1H3,(H,27,30)(H,25,28,29)
InChIKeyICCOOHCBMCUHGI-UHFFFAOYSA-N
XLogP3.08
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-fluorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)oxane-4-carboxamide
CID 138997352
1-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide
CID 86920088
4-(3-fluorophenyl)-N-[(5-sulfamoylthiophen-2-yl)methyl]oxane-4-carboxamide
CID 75417123
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-4-(3-fluorophenyl)oxane-4-carboxamide
CID 120567027
N-[(3-fluorophenyl)methyl]-4-[(4-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide
CID 129457932
4-(3-fluorophenyl)-N-[(3-piperidin-1-ylphenyl)methyl]oxane-4-carboxamide
CID 46977998
4-(3-fluorophenyl)-N'-(2-methylbutanoyl)oxane-4-carbohydrazide
CID 56807132
4-(3-fluorophenyl)-N-quinolin-6-yloxane-4-carboxamide
CID 60582036
N'-ethyl-4-(3-fluorophenyl)-N'-(2-hydroxyethyl)oxane-4-carbohydrazide
CID 127266166
4-(3-fluorophenyl)-N-quinolin-3-yloxane-4-carboxamide
CID 51125642
4-(3-fluorophenyl)-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]oxane-4-carboxamide
CID 94669644
N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-4-(3-fluorophenyl)oxane-4-carboxamide
CID 46977992

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-N-[[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]methyl]oxane-4-carboxamide?
The IUPAC name of 4-(3-fluorophenyl)-N-[[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]methyl]oxane-4-carboxamide (CID 92610503) is 4-(3-fluorophenyl)-N-[[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]methyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(3-fluorophenyl)-N-[[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]methyl]oxane-4-carboxamide?
The canonical SMILES for 4-(3-fluorophenyl)-N-[[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]methyl]oxane-4-carboxamide is CNc1cc(CNC(=O)C2(c3cccc(F)c3)CCOCC2)nc(-c2ccncc2)n1.
What is the InChIKey of 4-(3-fluorophenyl)-N-[[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]methyl]oxane-4-carboxamide?
The InChIKey is ICCOOHCBMCUHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O2/c1-25-20-14-19(28-21(29-20)16-5-9-26-10-6-16)15-27-22(30)23(7-11-31-12-8-23)17-3-2-4-18(24)13-17/h2-6,9-10,13-14H,7-8,11-12,15H2,1H3,(H,27,30)(H,25,28,29).
What are the key properties of 4-(3-fluorophenyl)-N-[[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]methyl]oxane-4-carboxamide?
4-(3-fluorophenyl)-N-[[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]methyl]oxane-4-carboxamide has a molecular weight of 421.48 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-N-[[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]methyl]oxane-4-carboxamide is sourced from PubChem (CID 92610503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).