N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(3-fluorophenyl)pyrimidine-5-carboxamide

C18H19FN4O — CID 86639371

IUPACN-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(3-fluorophenyl)pyrimidine-5-carboxamide
SMILESO=C(NN1CC2CCCC2C1)c1cnc(-c2cccc(F)c2)nc1
InChIInChI=1S/C18H19FN4O/c19-16-6-2-3-12(7-16)17-20-8-15(9-21-17)18(24)22-23-10-13-4-1-5-14(13)11-23/h2-3,6-9,13-14H,1,4-5,10-11H2,(H,22,24)
InChIKeyAUZAXAFIHOYMNP-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.66
Rot. Bonds3

About N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(3-fluorophenyl)pyrimidine-5-carboxamide

N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(3-fluorophenyl)pyrimidine-5-carboxamide (PubChem CID 86639371) has the molecular formula C18H19FN4O and a molecular weight of 326.38 g/mol. Its IUPAC name is N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(3-fluorophenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(3-fluorophenyl)pyrimidine-5-carboxamide
PubChem CID86639371
Molecular FormulaC18H19FN4O
Molecular Weight326.38 g/mol
Exact Mass326.15
IUPAC NameN-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(3-fluorophenyl)pyrimidine-5-carboxamide
SMILESO=C(NN1CC2CCCC2C1)c1cnc(-c2cccc(F)c2)nc1
InChIInChI=1S/C18H19FN4O/c19-16-6-2-3-12(7-16)17-20-8-15(9-21-17)18(24)22-23-10-13-4-1-5-14(13)11-23/h2-3,6-9,13-14H,1,4-5,10-11H2,(H,22,24)
InChIKeyAUZAXAFIHOYMNP-UHFFFAOYSA-N
XLogP2.66
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluorophenyl)-N-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]pyrimidine-5-carboxamide
CID 91184923
2-(3-fluorophenyl)-N-indol-1-ylpyrimidine-5-carboxamide
CID 25099313
N-(3-fluorophenyl)-2-phenylpyrimidine-5-carboxamide
CID 47779233
(2,6-dimethylmorpholin-4-yl)-[4-[2-(3-fluorophenyl)pyrimidin-5-yl]-1-methylpyrrol-2-yl]methanone
CID 131660689
3-[2-(3-fluorophenyl)pyrimidin-5-yl]propanoic acid
CID 82384666
2-(3-fluorophenyl)-N-[[3-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]pyrimidine-5-carboxamide
CID 69282449
N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)pyrrolidin-3-yl]-2-(3-fluorophenyl)pyrimidine-5-carboxamide
CID 56602708
6-(3-fluorophenyl)-N-[3-(1-hydroxyethyl)cyclohexyl]pyridine-3-carboxamide
CID 67070250
6-(3-fluorophenyl)-N-[(1R,3S)-3-[2-(methylamino)ethylcarbamoyl]cyclohexyl]pyridine-3-carboxamide
CID 59401603
6-(3-fluorophenyl)-N-[(1S,3S)-3-[(2-hydroxyacetyl)amino]cyclohexyl]pyridine-3-carboxamide
CID 59401403
2-(3-fluorophenyl)-N-[[3-(2-morpholin-4-ylethylsulfamoyl)phenyl]methyl]pyrimidine-5-carboxamide
CID 16665633
6-(3-fluorophenyl)-N-[3-(4-hydroxypiperidine-1-carbonyl)cyclohexyl]pyridine-3-carboxamide
CID 67070330

Frequently Asked Questions

What is the IUPAC name of N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(3-fluorophenyl)pyrimidine-5-carboxamide?
The IUPAC name of N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(3-fluorophenyl)pyrimidine-5-carboxamide (CID 86639371) is N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(3-fluorophenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(3-fluorophenyl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(3-fluorophenyl)pyrimidine-5-carboxamide is O=C(NN1CC2CCCC2C1)c1cnc(-c2cccc(F)c2)nc1.
What is the InChIKey of N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(3-fluorophenyl)pyrimidine-5-carboxamide?
The InChIKey is AUZAXAFIHOYMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O/c19-16-6-2-3-12(7-16)17-20-8-15(9-21-17)18(24)22-23-10-13-4-1-5-14(13)11-23/h2-3,6-9,13-14H,1,4-5,10-11H2,(H,22,24).
What are the key properties of N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(3-fluorophenyl)pyrimidine-5-carboxamide?
N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(3-fluorophenyl)pyrimidine-5-carboxamide has a molecular weight of 326.38 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(3-fluorophenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 86639371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).