N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-6-azabicyclo[3.2.0]heptane-6-carboxamide

C18H19FN4O — CID 169176409

IUPACN-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-6-azabicyclo[3.2.0]heptane-6-carboxamide
SMILESCc1ccc(NC(=O)N2CC3CCCC32)cc1-c1ncc(F)cn1
InChIInChI=1S/C18H19FN4O/c1-11-5-6-14(7-15(11)17-20-8-13(19)9-21-17)22-18(24)23-10-12-3-2-4-16(12)23/h5-9,12,16H,2-4,10H2,1H3,(H,22,24)
InChIKeySYNUEKQGEQNTNZ-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.61
Rot. Bonds2

About N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-6-azabicyclo[3.2.0]heptane-6-carboxamide

N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-6-azabicyclo[3.2.0]heptane-6-carboxamide (PubChem CID 169176409) has the molecular formula C18H19FN4O and a molecular weight of 326.38 g/mol. Its IUPAC name is N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-6-azabicyclo[3.2.0]heptane-6-carboxamide.

Molecular Properties

Compound NameN-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-6-azabicyclo[3.2.0]heptane-6-carboxamide
PubChem CID169176409
Molecular FormulaC18H19FN4O
Molecular Weight326.38 g/mol
Exact Mass326.15
IUPAC NameN-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-6-azabicyclo[3.2.0]heptane-6-carboxamide
SMILESCc1ccc(NC(=O)N2CC3CCCC32)cc1-c1ncc(F)cn1
InChIInChI=1S/C18H19FN4O/c1-11-5-6-14(7-15(11)17-20-8-13(19)9-21-17)22-18(24)23-10-12-3-2-4-16(12)23/h5-9,12,16H,2-4,10H2,1H3,(H,22,24)
InChIKeySYNUEKQGEQNTNZ-UHFFFAOYSA-N
XLogP3.61
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-7-azabicyclo[4.2.0]octane-7-carboxamide
CID 169176474
(1S,4S,6R)-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-6-methyl-2-azabicyclo[2.2.2]octane-2-carboxamide
CID 169176324
(1R,2R,4S)-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-2-methyl-7-azabicyclo[2.2.1]heptane-7-carboxamide
CID 169176479
(2R,5R)-1-acetyl-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-5-methylpyrrolidine-2-carboxamide
CID 169176512
N-(4-methyl-3-pyrimidin-2-ylphenyl)-6-azabicyclo[3.1.1]heptane-6-carboxamide
CID 169176631
N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-2-(2-methylpyrazol-3-yl)cyclopentane-1-carboxamide
CID 169176342
(1R,3R,5R)-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-2-pyrimidin-2-yl-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 169176239
N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-6-methyl-1-pyridin-2-ylpiperidine-2-carboxamide
CID 169176102
(2S,5R)-5-cyclopropyl-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-1-pyridin-2-ylpyrrolidine-2-carboxamide
CID 169176226
tert-butyl (1R,3R,5R)-3-[[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate
CID 169177049
2-[C-[(Z)-2-aminoethenyl]-N-methylcarbonimidoyl]-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]cyclopentane-1-carboxamide
CID 169176075
(1S,3S,5S)-N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-2-pyrazin-2-yl-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 176763923

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-6-azabicyclo[3.2.0]heptane-6-carboxamide?
The IUPAC name of N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-6-azabicyclo[3.2.0]heptane-6-carboxamide (CID 169176409) is N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-6-azabicyclo[3.2.0]heptane-6-carboxamide.
What is the SMILES notation for N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-6-azabicyclo[3.2.0]heptane-6-carboxamide?
The canonical SMILES for N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-6-azabicyclo[3.2.0]heptane-6-carboxamide is Cc1ccc(NC(=O)N2CC3CCCC32)cc1-c1ncc(F)cn1.
What is the InChIKey of N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-6-azabicyclo[3.2.0]heptane-6-carboxamide?
The InChIKey is SYNUEKQGEQNTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O/c1-11-5-6-14(7-15(11)17-20-8-13(19)9-21-17)22-18(24)23-10-12-3-2-4-16(12)23/h5-9,12,16H,2-4,10H2,1H3,(H,22,24).
What are the key properties of N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-6-azabicyclo[3.2.0]heptane-6-carboxamide?
N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-6-azabicyclo[3.2.0]heptane-6-carboxamide has a molecular weight of 326.38 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-fluoropyrimidin-2-yl)-4-methylphenyl]-6-azabicyclo[3.2.0]heptane-6-carboxamide is sourced from PubChem (CID 169176409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).